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

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-methyl-3-(propanoylamino)benzoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 4-methyl-3-(propanoylamino)benzoate CAS Name: 4-methyl-3-(1-oxopropylamino)benzoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 4-methyl-3-(propanoylamino)benzoate Traditional Name: 4-methyl-3-propionamido-benzoic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O6/c1-4-19(24)21-16-9-15(8-5-12(16)2)20(25)28-11-18(23)14-7-6-13(3)17(10-14)22(26)27/h5-10H,4,11H2,1-3H3,(H,21,24)