ethyl 4-[3-[[(2-chloranylpyridin-3-yl)carbonylhydrazinylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: ethyl 4-[3-[[(2-chloranylpyridin-3-yl)carbonylhydrazinylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[3-[[(2-chloropyridine-3-carbonyl)hydrazono]methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[[[(2-chloro-3-pyridinyl)-oxomethyl]hydrazinylidene]methyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[[(2-chloropyridine-3-carbonyl)hydrazinylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[[(2-chloronicotinoyl)hydrazono]methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid ethyl ester Formula: C22H21ClN4O3 MolecularWeight: 424.88014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O3/c1-4-30-22(29)16-7-9-18(10-8-16)27-14(2)12-17(15(27)3)13-25-26-21(28)19-6-5-11-24-20(19)23/h5-13H,4H2,1-3H3,(H,26,28)