ethyl 2-(4-methylphenyl)carbonyl-5-nitro-benzoate

Systemtic Name: ethyl 2-(4-methylphenyl)carbonyl-5-nitro-benzoate Openeye Name: ethyl 2-(4-methylbenzoyl)-5-nitro-benzoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 2-(4-methylbenzoyl)-5-nitrobenzoate Traditional Name: 5-nitro-2-p-toluoyl-benzoic acid ethyl ester Formula: C17H15NO5 MolecularWeight: 313.3047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO5/c1-3-23-17(20)15-10-13(18(21)22)8-9-14(15)16(19)12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3