[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 5-nitro-2-oxidanyl-benzoate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 5-nitro-2-oxidanyl-benzoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 2-hydroxy-5-nitro-benzoate CAS Name: 2-hydroxy-5-nitrobenzoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 2-hydroxy-5-nitrobenzoate Traditional Name: 2-hydroxy-5-nitro-benzoic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C16H13NO6 MolecularWeight: 315.27752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO6/c1-10-2-4-11(5-3-10)15(19)9-23-16(20)13-8-12(17(21)22)6-7-14(13)18/h2-8,18H,9H2,1H3