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

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-acetamidobenzoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 4-acetamidobenzoate Traditional Name: 4-acetamidobenzoic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C)[N+](=O)[O-]

InChI

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