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

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-nitrobenzoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 2-nitrobenzoate Traditional Name: 2-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/c1-11-6-8-12(9-7-11)15(18)10-22-16(19)13-4-2-3-5-14(13)17(20)21/h2-9H,10H2,1H3