methyl (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-5-oxidanylidene-1-phenethyl-pyrrole-3-carboxylate

Systemtic Name: methyl (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-5-oxidanylidene-1-phenethyl-pyrrole-3-carboxylate Openeye Name: methyl (4Z)-4-(1,3-benzodioxol-5-ylmethylene)-2-methyl-5-oxo-1-phenethyl-pyrrole-3-carboxylate CAS Name: (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-5-oxo-1-phenethyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-5-oxo-1-phenethylpyrrole-3-carboxylate Traditional Name: (4Z)-5-keto-2-methyl-1-phenethyl-4-piperonylidene-2-pyrroline-3-carboxylic acid methyl ester Formula: C23H21NO5 MolecularWeight: 391.41654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC3=C(C=C2)OCO3)C(=O)N1CCC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(/C(=C/C2=CC3=C(C=C2)OCO3)/C(=O)N1CCC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C23H21NO5/c1-15-21(23(26)27-2)18(12-17-8-9-19-20(13-17)29-14-28-19)22(25)24(15)11-10-16-6-4-3-5-7-16/h3-9,12-13H,10-11,14H2,1-2H3/b18-12-