methyl 5-cyano-1-[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: methyl 5-cyano-1-[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 1-[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-5-cyano-6-oxo-pyridine-3-carboxylate CAS Name: 5-cyano-1-[2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl]-6-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-cyano-6-oxopyridine-3-carboxylate Traditional Name: 1-[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]-5-cyano-6-keto-nicotinic acid methyl ester Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3C=C(C=C(C3=O)C#N)C(=O)OC

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3C=C(C=C(C3=O)C#N)C(=O)OC

InChI

InChI=1S/C23H21N3O4/c1-15-9-20(16(2)26(15)12-17-7-5-4-6-8-17)21(27)14-25-13-19(23(29)30-3)10-18(11-24)22(25)28/h4-10,13H,12,14H2,1-3H3