ethyl 4-[2,5-dimethyl-3-[(E)-(pyridin-4-ylcarbonylhydrazinylidene)methyl]pyrrol-1-yl]benzoate

Systemtic Name: ethyl 4-[2,5-dimethyl-3-[(E)-(pyridin-4-ylcarbonylhydrazinylidene)methyl]pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[2,5-dimethyl-3-[(E)-(pyridine-4-carbonylhydrazono)methyl]pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dimethyl-3-[(E)-[[oxo(pyridin-4-yl)methyl]hydrazinylidene]methyl]-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2,5-dimethyl-3-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]pyrrol-1-yl]benzoate Traditional Name: 4-[3-[(E)-(isonicotinoylhydrazono)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid ethyl ester Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=NNC(=O)C3=CC=NC=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)/C=N/NC(=O)C3=CC=NC=C3)C

InChI

InChI=1S/C22H22N4O3/c1-4-29-22(28)18-5-7-20(8-6-18)26-15(2)13-19(16(26)3)14-24-25-21(27)17-9-11-23-12-10-17/h5-14H,4H2,1-3H3,(H,25,27)/b24-14+