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

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] benzoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] benzoate CAS Name: benzoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] benzoate Traditional Name: benzoic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C16H13NO5 MolecularWeight: 299.27812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO5/c1-11-7-8-13(9-14(11)17(20)21)15(18)10-22-16(19)12-5-3-2-4-6-12/h2-9H,10H2,1H3