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

Systemtic Name: ethyl 4-[2,5-dimethyl-3-[(Z)-(1H-pyrrol-2-ylcarbonylhydrazinylidene)methyl]pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[2,5-dimethyl-3-[(Z)-(1H-pyrrole-2-carbonylhydrazono)methyl]pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dimethyl-3-[(Z)-[[oxo(1H-pyrrol-2-yl)methyl]hydrazinylidene]methyl]-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2,5-dimethyl-3-[(Z)-(1H-pyrrole-2-carbonylhydrazinylidene)methyl]pyrrol-1-yl]benzoate Traditional Name: 4-[2,5-dimethyl-3-[(Z)-(1H-pyrrole-2-carbonylhydrazono)methyl]pyrrol-1-yl]benzoic acid ethyl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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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=CN3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)/C=N\NC(=O)C3=CC=CN3)C

InChI

InChI=1S/C21H22N4O3/c1-4-28-21(27)16-7-9-18(10-8-16)25-14(2)12-17(15(25)3)13-23-24-20(26)19-6-5-11-22-19/h5-13,22H,4H2,1-3H3,(H,24,26)/b23-13-