3-[2,5-dimethyl-3-[(E)-(pyridin-3-ylcarbonylhydrazinylidene)methyl]pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[2,5-dimethyl-3-[(E)-(pyridin-3-ylcarbonylhydrazinylidene)methyl]pyrrol-1-yl]benzoic acid Openeye Name: 3-[2,5-dimethyl-3-[(E)-(pyridine-3-carbonylhydrazono)methyl]pyrrol-1-yl]benzoic acid CAS Name: 3-[2,5-dimethyl-3-[(E)-[[oxo(3-pyridinyl)methyl]hydrazinylidene]methyl]-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2,5-dimethyl-3-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]pyrrol-1-yl]benzoic acid Traditional Name: 3-[2,5-dimethyl-3-[(E)-(nicotinoylhydrazono)methyl]pyrrol-1-yl]benzoic acid Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)C=NNC(=O)C3=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O3/c1-13-9-17(12-22-23-19(25)16-6-4-8-21-11-16)14(2)24(13)18-7-3-5-15(10-18)20(26)27/h3-12H,1-2H3,(H,23,25)(H,26,27)/b22-12+