[1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 3-nitrobenzoate

Systemtic Name: [1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 3-nitrobenzoate Openeye Name: [1-methyl-2-oxo-2-(p-tolyl)ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylphenyl)-1-oxopropan-2-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-1-methyl-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)C(C)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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