(3-nitrophenyl)methyl 4-[(3,4-dimethylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (3-nitrophenyl)methyl 4-[(3,4-dimethylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (3-nitrophenyl)methyl 4-(3,4-dimethylanilino)-4-oxo-butanoate CAS Name: 4-(3,4-dimethylanilino)-4-oxobutanoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 4-(3,4-dimethylanilino)-4-oxobutanoate Traditional Name: 4-(3,4-dimethylanilino)-4-keto-butyric acid (3-nitrobenzyl) ester Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC(=O)OCC2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC(=O)OCC2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C19H20N2O5/c1-13-6-7-16(10-14(13)2)20-18(22)8-9-19(23)26-12-15-4-3-5-17(11-15)21(24)25/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,22)