[2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 3-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 3-nitrobenzoate Openeye Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-oxo-2-[4-(1-oxopropylamino)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 3-nitrobenzoate Traditional Name: 3-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)19-14-8-6-12(7-9-14)16(21)11-26-18(23)13-4-3-5-15(10-13)20(24)25/h3-10H,2,11H2,1H3,(H,19,22)