2-chloranyl-4-[[1-(4-dimethylaminophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]benzoic acid

Systemtic Name: 2-chloranyl-4-[[1-(4-dimethylaminophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]benzoic acid Openeye Name: 2-chloro-4-[[1-(4-dimethylaminophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]benzoic acid CAS Name: 2-chloro-4-[[1-(4-dimethylaminophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]benzoic acid IUPAC Name: 2-chloro-4-[[1-(4-dimethylaminophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzoic acid Traditional Name: 2-chloro-4-[[1-(4-dimethylaminophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]benzoic acid Formula: C22H22ClN3O2 MolecularWeight: 395.88198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O2/c1-14-11-16(13-24-17-5-10-20(22(27)28)21(23)12-17)15(2)26(14)19-8-6-18(7-9-19)25(3)4/h5-13H,1-4H3,(H,27,28)