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

Systemtic Name: (3-nitrophenyl)methyl 4-[(3-methylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (3-nitrophenyl)methyl 4-(3-methylanilino)-4-oxo-butanoate CAS Name: 4-(3-methylanilino)-4-oxobutanoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 4-(3-methylanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(m-toluidino)butyric acid (3-nitrobenzyl) ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5/c1-13-4-2-6-15(10-13)19-17(21)8-9-18(22)25-12-14-5-3-7-16(11-14)20(23)24/h2-7,10-11H,8-9,12H2,1H3,(H,19,21)