ethyl 4-(4-methylphenyl)carbonyl-3-nitro-5-oxidanyl-benzoate

Systemtic Name: ethyl 4-(4-methylphenyl)carbonyl-3-nitro-5-oxidanyl-benzoate Openeye Name: ethyl 3-hydroxy-4-(4-methylbenzoyl)-5-nitro-benzoate CAS Name: 3-hydroxy-4-[(4-methylphenyl)-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-hydroxy-4-(4-methylbenzoyl)-5-nitrobenzoate Traditional Name: 3-hydroxy-5-nitro-4-p-toluoyl-benzoic acid ethyl ester Formula: C17H15NO6 MolecularWeight: 329.3041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO6/c1-3-24-17(21)12-8-13(18(22)23)15(14(19)9-12)16(20)11-6-4-10(2)5-7-11/h4-9,19H,3H2,1-2H3