aniline; 2-(4-methyl-2-oxidanyl-phenyl)carbonylbenzoic acid

Systemtic Name: aniline; 2-(4-methyl-2-oxidanyl-phenyl)carbonylbenzoic acid Openeye Name: aniline; 2-(2-hydroxy-4-methyl-benzoyl)benzoic acid CAS Name: aniline; 2-[(2-hydroxy-4-methylphenyl)-oxomethyl]benzoic acid IUPAC Name: aniline; 2-(2-hydroxy-4-methylbenzoyl)benzoic acid Traditional Name: 2-(2-hydroxy-4-methyl-benzoyl)benzoic acid; phenylamine Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O.C1=CC=C(C=C1)N

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O.C1=CC=C(C=C1)N

InChI

InChI=1S/C15H12O4.C6H7N/c1-9-6-7-12(13(16)8-9)14(17)10-4-2-3-5-11(10)15(18)19;7-6-4-2-1-3-5-6/h2-8,16H,1H3,(H,18,19);1-5H,7H2