[2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 2-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 2-nitrobenzoate Openeye Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-oxo-2-[4-(1-oxopropylamino)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-keto-2-(4-propionamidophenyl)ethyl] ester Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O6/c1-2-17(22)19-13-9-7-12(8-10-13)16(21)11-26-18(23)14-5-3-4-6-15(14)20(24)25/h3-10H,2,11H2,1H3,(H,19,22)