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Ethyl 4-([(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino)benzoate
SpectraBase Compound ID 58EF3c2CceV
InChI InChI=1S/C18H15N3O6/c1-2-27-18(24)11-3-5-12(6-4-11)19-10-20-16(22)14-8-7-13(21(25)26)9-15(14)17(20)23/h3-9,19H,2,10H2,1H3
InChIKey ONXFUVWVTDMVFR-UHFFFAOYSA-N
Mol Weight 369.33 g/mol
Molecular Formula C18H15N3O6
Exact Mass 369.096085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 68g01VI8C84
Name Ethyl 4-([(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino)benzoate
CAS Registry Number 53138-36-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15N3O6
InChI InChI=1S/C18H15N3O6/c1-2-27-18(24)11-3-5-12(6-4-11)19-10-20-16(22)14-8-7-13(21(25)26)9-15(14)17(20)23/h3-9,19H,2,10H2,1H3
InChIKey ONXFUVWVTDMVFR-UHFFFAOYSA-N
Molecular Weight 369.333 g/mol
SMILES N(CN1C(c2cc(N(=O)=O)ccc2C1=O)=O)c1ccc(C(=O)OCC)cc1
SPLASH splash10-0fc0-6900000000-cb5b9fd0f087dafdb98e
Synonyms 4-[(1,3-diketo-5-nitro-isoindolin-2-yl)methylamino]benzoic acid ethyl ester 4-[(5-nitro-1,3-dioxo-2-isoindolyl)methylamino]benzoic acid ethyl ester Ethyl 4-(4-nitrophthalimidomethylamino)benzoate Ethyl 4-[(5-nitro-1,3-dioxo-isoindolin-2-yl)methylamino]benzoate Ethyl 4-[(5-nitro-1,3-dioxoisoindol-2-yl)methylamino]benzoate Ethyl 4-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methylamino]benzoate
Wiley ID 1468524