(3-nitrophenyl)methyl 4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (3-nitrophenyl)methyl 4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (3-nitrophenyl)methyl 4-(2-chloroanilino)-4-oxo-butanoate CAS Name: 4-(2-chloroanilino)-4-oxobutanoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 4-(2-chloroanilino)-4-oxobutanoate Traditional Name: 4-(2-chloroanilino)-4-keto-butyric acid (3-nitrobenzyl) ester Formula: C17H15ClN2O5 MolecularWeight: 362.7644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN2O5/c18-14-6-1-2-7-15(14)19-16(21)8-9-17(22)25-11-12-4-3-5-13(10-12)20(23)24/h1-7,10H,8-9,11H2,(H,19,21)