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

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-benzamidoethanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2-benzamidoacetate CAS Name: 2-benzamidoacetic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-benzamidoacetate Traditional Name: 2-benzamidoacetic 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)CNC(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O6/c1-12-7-8-14(9-15(12)20(24)25)16(21)11-26-17(22)10-19-18(23)13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,19,23)