4-[(E)-[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)carbonylhydrazinylidene]methyl]benzoic acid

Systemtic Name: 4-[(E)-[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)carbonylhydrazinylidene]methyl]benzoic acid Openeye Name: 4-[(E)-[(2,5-dimethyl-1-phenyl-pyrrole-3-carbonyl)hydrazono]methyl]benzoic acid CAS Name: 4-[(E)-[[(2,5-dimethyl-1-phenyl-3-pyrrolyl)-oxomethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 4-[(E)-[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)hydrazinylidene]methyl]benzoic acid Traditional Name: 4-[(E)-[(2,5-dimethyl-1-phenyl-pyrrole-3-carbonyl)hydrazono]methyl]benzoic acid Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)NN=CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)N/N=C/C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H19N3O3/c1-14-12-19(15(2)24(14)18-6-4-3-5-7-18)20(25)23-22-13-16-8-10-17(11-9-16)21(26)27/h3-13H,1-2H3,(H,23,25)(H,26,27)/b22-13+