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3-([(5-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino)benzoic acid
SpectraBase Compound ID AV1BrFXLLJy
InChI InChI=1S/C16H11N3O6/c20-14-12-5-4-11(19(24)25)7-13(12)15(21)18(14)8-17-10-3-1-2-9(6-10)16(22)23/h1-7,17H,8H2,(H,22,23)
InChIKey GKMPOUCIRHKGPF-UHFFFAOYSA-N
Mol Weight 341.28 g/mol
Molecular Formula C16H11N3O6
Exact Mass 341.064785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4xdeXJOUbAH
Name 3-([(5-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino)benzoic acid
CAS Registry Number 53138-37-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11N3O6
InChI InChI=1S/C16H11N3O6/c20-14-12-5-4-11(19(24)25)7-13(12)15(21)18(14)8-17-10-3-1-2-9(6-10)16(22)23/h1-7,17H,8H2,(H,22,23)
InChIKey GKMPOUCIRHKGPF-UHFFFAOYSA-N
Molecular Weight 341.279 g/mol
SMILES N(CN1C(c2ccc(cc2C1=O)N(=O)=O)=O)c1cc(C(=O)O)ccc1
SPLASH splash10-0fft-9700000000-53acf9f1e9f7248520c0
Synonyms 3-(4-Nitrophthalimidomethylamino)benzoic acid 3-[(1,3-diketo-5-nitro-isoindolin-2-yl)methylamino]benzoic acid 3-[(5-nitro-1,3-dioxo-2-isoindolyl)methylamino]benzoic acid 3-[(5-nitro-1,3-dioxo-isoindolin-2-yl)methylamino]benzoic acid 3-[(5-nitro-1,3-dioxoisoindol-2-yl)methylamino]benzoic acid 3-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methylamino]benzoic acid
Wiley ID 1468542