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

Systemtic Name: ethyl 4-[2,5-dimethyl-3-[(E)-(pyridin-2-ylhydrazinylidene)methyl]pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[2,5-dimethyl-3-[(E)-(2-pyridylhydrazono)methyl]pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dimethyl-3-[(E)-(2-pyridinylhydrazinylidene)methyl]-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2,5-dimethyl-3-[(E)-(pyridin-2-ylhydrazinylidene)methyl]pyrrol-1-yl]benzoate Traditional Name: 4-[2,5-dimethyl-3-[(E)-(2-pyridylhydrazono)methyl]pyrrol-1-yl]benzoic acid ethyl ester Formula: C21H22N4O2 MolecularWeight: 362.42498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=NNC3=CC=CC=N3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)/C=N/NC3=CC=CC=N3)C

InChI

InChI=1S/C21H22N4O2/c1-4-27-21(26)17-8-10-19(11-9-17)25-15(2)13-18(16(25)3)14-23-24-20-7-5-6-12-22-20/h5-14H,4H2,1-3H3,(H,22,24)/b23-14+