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

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 3-methyl-2-nitro-benzoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C17H15NO5 MolecularWeight: 313.3047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO5/c1-11-6-8-13(9-7-11)15(19)10-23-17(20)14-5-3-4-12(2)16(14)18(21)22/h3-9H,10H2,1-2H3