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

Systemtic Name: methyl 1-[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 1-[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]-6-oxo-pyridine-3-carboxylate CAS Name: 1-[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-6-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-6-oxopyridine-3-carboxylate Traditional Name: 1-[2-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)-2-keto-ethyl]-6-keto-nicotinic acid methyl ester Formula: C23H22N2O6 MolecularWeight: 422.43058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)CN4C=C(C=CC4=O)C(=O)OC

Isomeric SMILES

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)CN4C=C(C=CC4=O)C(=O)OC

InChI

InChI=1S/C23H22N2O6/c1-14-8-18(19(26)12-24-11-17(23(28)29-3)5-7-22(24)27)15(2)25(14)10-16-4-6-20-21(9-16)31-13-30-20/h4-9,11H,10,12-13H2,1-3H3