[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C16H13NO5 MolecularWeight: 299.27812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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