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

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-methyl-2-oxidanyl-benzoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2-hydroxy-4-methyl-benzoate CAS Name: 2-hydroxy-4-methylbenzoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-hydroxy-4-methylbenzoate Traditional Name: 2-hydroxy-4-methyl-benzoic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C17H15NO6 MolecularWeight: 329.3041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO6/c1-10-3-6-13(15(19)7-10)17(21)24-9-16(20)12-5-4-11(2)14(8-12)18(22)23/h3-8,19H,9H2,1-2H3