2-(2-methylphenyl)carbonyl-5-nitro-benzoic acid

Systemtic Name: 2-(2-methylphenyl)carbonyl-5-nitro-benzoic acid Openeye Name: 2-(2-methylbenzoyl)-5-nitro-benzoic acid CAS Name: 2-[(2-methylphenyl)-oxomethyl]-5-nitrobenzoic acid IUPAC Name: 2-(2-methylbenzoyl)-5-nitrobenzoic acid Traditional Name: 5-nitro-2-o-toluoyl-benzoic acid Formula: C15H11NO5 MolecularWeight: 285.25154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

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