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Ethyl 4-(((E)-[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene)amino)benzoate
SpectraBase Compound ID CrZ39274UTe
InChI InChI=1S/C22H21N3O4/c1-4-29-22(26)17-8-10-19(11-9-17)23-14-18-12-15(2)24(16(18)3)20-6-5-7-21(13-20)25(27)28/h5-14H,4H2,1-3H3/b23-14+
InChIKey MHSYLNCRDBUSBR-OEAKJJBVSA-N
Mol Weight 391.43 g/mol
Molecular Formula C22H21N3O4
Exact Mass 391.153206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HeL2T6ozP7J
Name Ethyl 4-(((E)-[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene)amino)benzoate
CAS Registry Number 348594-82-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21N3O4
InChI InChI=1S/C22H21N3O4/c1-4-29-22(26)17-8-10-19(11-9-17)23-14-18-12-15(2)24(16(18)3)20-6-5-7-21(13-20)25(27)28/h5-14H,4H2,1-3H3/b23-14+
InChIKey MHSYLNCRDBUSBR-OEAKJJBVSA-N
Molecular Weight 391.427 g/mol
SMILES c1(c(cc([n]1-c1cc(ccc1)N(=O)=O)C)\C=N\c1ccc(cc1)C(OCC)=O)C
SPLASH splash10-0006-3529000000-177189735c90e8e5528c
Source of Spectrum AD-0-2532-0
Synonyms Benzoic acid, 4-[2,5-dimethyl-1-(3-nitrophenyl)-3-pyrrolyl)methylenamino]-, ethyl ester
Wiley ID 1426486