2-(4-methylphenyl)carbonyl-6-nitro-benzoic acid

Systemtic Name: 2-(4-methylphenyl)carbonyl-6-nitro-benzoic acid Openeye Name: 2-(4-methylbenzoyl)-6-nitro-benzoic acid CAS Name: 2-[(4-methylphenyl)-oxomethyl]-6-nitrobenzoic acid IUPAC Name: 2-(4-methylbenzoyl)-6-nitrobenzoic acid Traditional Name: 2-nitro-6-p-toluoyl-benzoic acid Formula: C15H11NO5 MolecularWeight: 285.25154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11NO5/c1-9-5-7-10(8-6-9)14(17)11-3-2-4-12(16(20)21)13(11)15(18)19/h2-8H,1H3,(H,18,19)