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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C=C(C=C2)C(=O)OC)C)C)C=NNC(=O)C3=C(N=CC=C3)Cl

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=C(C=C2)C(=O)OC)C)C)C=NNC(=O)C3=C(N=CC=C3)Cl

InChI

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