(2-nitrophenyl)methyl 4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2-nitrophenyl)methyl 4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2-nitrophenyl)methyl 4-(2,5-dimethylanilino)-4-oxo-butanoate CAS Name: 4-(2,5-dimethylanilino)-4-oxobutanoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 4-(2,5-dimethylanilino)-4-oxobutanoate Traditional Name: 4-(2,5-dimethylanilino)-4-keto-butyric acid (2-nitrobenzyl) ester Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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