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

Systemtic Name: 4-[3-[(E)-(2-cyanoethanoylhydrazinylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Openeye Name: 4-[3-[(E)-[(2-cyanoacetyl)hydrazono]methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid CAS Name: 4-[3-[(E)-[(2-cyano-1-oxoethyl)hydrazinylidene]methyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid IUPAC Name: 4-[3-[(E)-[(2-cyanoacetyl)hydrazinylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoic acid Traditional Name: 4-[3-[(E)-[(2-cyanoacetyl)hydrazono]methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Formula: C17H16N4O3 MolecularWeight: 324.33394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)C=NNC(=O)CC#N

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O3/c1-11-9-14(10-19-20-16(22)7-8-18)12(2)21(11)15-5-3-13(4-6-15)17(23)24/h3-6,9-10H,7H2,1-2H3,(H,20,22)(H,23,24)/b19-10+