3-[3-[(Z)-(2-cyanoethanoylhydrazinylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: 3-[3-[(Z)-(2-cyanoethanoylhydrazinylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: 3-[3-[(Z)-[(2-cyanoacetyl)hydrazono]methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 3-[3-[(Z)-[(2-cyano-1-oxoethyl)hydrazinylidene]methyl]-2,5-dimethyl-1-pyrrolyl]benzoate IUPAC Name: 3-[3-[(Z)-[(2-cyanoacetyl)hydrazinylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 3-[3-[(Z)-[(2-cyanoacetyl)hydrazono]methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Formula: C17H15N4O3- MolecularWeight: 323.326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)[O-])C)/C=N\NC(=O)CC#N

InChI

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