[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 3-(propanoylamino)benzoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 3-(propanoylamino)benzoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 3-(propanoylamino)benzoate CAS Name: 3-(1-oxopropylamino)benzoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 3-(propanoylamino)benzoate Traditional Name: 3-propionamidobenzoic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C19H18N2O6 MolecularWeight: 370.35602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O6/c1-3-18(23)20-15-6-4-5-14(9-15)19(24)27-11-17(22)13-8-7-12(2)16(10-13)21(25)26/h4-10H,3,11H2,1-2H3,(H,20,23)