4-(4-methylphenyl)carbonyl-3-nitro-5-phenylmethoxy-benzoic acid

Systemtic Name: 4-(4-methylphenyl)carbonyl-3-nitro-5-phenylmethoxy-benzoic acid Openeye Name: 3-benzyloxy-4-(4-methylbenzoyl)-5-nitro-benzoic acid CAS Name: 4-[(4-methylphenyl)-oxomethyl]-3-nitro-5-phenylmethoxybenzoic acid IUPAC Name: 4-(4-methylbenzoyl)-3-nitro-5-phenylmethoxybenzoic acid Traditional Name: 3-benzoxy-5-nitro-4-p-toluoyl-benzoic acid Formula: C22H17NO6 MolecularWeight: 391.37348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2OCC3=CC=CC=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2OCC3=CC=CC=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C22H17NO6/c1-14-7-9-16(10-8-14)21(24)20-18(23(27)28)11-17(22(25)26)12-19(20)29-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,25,26)