propyl 4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-(3-nitroanilino)-4-oxo-butanoate CAS Name: 4-(3-nitroanilino)-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-(3-nitroanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(3-nitroanilino)butyric acid propyl ester Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)CCC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O5/c1-2-8-20-13(17)7-6-12(16)14-10-4-3-5-11(9-10)15(18)19/h3-5,9H,2,6-8H2,1H3,(H,14,16)