4-[3-[(4-chloranyl-2-oxidanyl-phenyl)iminomethyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoic acid

Systemtic Name: 4-[3-[(4-chloranyl-2-oxidanyl-phenyl)iminomethyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoic acid Openeye Name: 4-[3-[(4-chloro-2-hydroxy-phenyl)iminomethyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoic acid CAS Name: 4-[3-[(4-chloro-2-hydroxyphenyl)iminomethyl]-2,5-dimethyl-1-pyrrolyl]-3-methylbenzoic acid IUPAC Name: 4-[3-[(4-chloro-2-hydroxyphenyl)iminomethyl]-2,5-dimethylpyrrol-1-yl]-3-methylbenzoic acid Traditional Name: 4-[3-[(4-chloro-2-hydroxy-phenyl)iminomethyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoic acid Formula: C21H19ClN2O3 MolecularWeight: 382.84016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C=C(C=C2)C(=O)O)C)C)C=NC3=C(C=C(C=C3)Cl)O

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=C(C=C2)C(=O)O)C)C)C=NC3=C(C=C(C=C3)Cl)O

InChI

InChI=1S/C21H19ClN2O3/c1-12-8-15(21(26)27)4-7-19(12)24-13(2)9-16(14(24)3)11-23-18-6-5-17(22)10-20(18)25/h4-11,25H,1-3H3,(H,26,27)