methyl (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-5-oxidanylidene-1-phenyl-pyrrole-3-carboxylate

Systemtic Name: methyl (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-5-oxidanylidene-1-phenyl-pyrrole-3-carboxylate Openeye Name: methyl (4E)-4-(1,3-benzodioxol-5-ylmethylene)-2-methyl-5-oxo-1-phenyl-pyrrole-3-carboxylate CAS Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-5-oxo-1-phenyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-5-oxo-1-phenylpyrrole-3-carboxylate Traditional Name: (4E)-5-keto-2-methyl-1-phenyl-4-piperonylidene-2-pyrroline-3-carboxylic acid methyl ester Formula: C21H17NO5 MolecularWeight: 363.36338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC3=C(C=C2)OCO3)C(=O)N1C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(/C(=C\C2=CC3=C(C=C2)OCO3)/C(=O)N1C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C21H17NO5/c1-13-19(21(24)25-2)16(20(23)22(13)15-6-4-3-5-7-15)10-14-8-9-17-18(11-14)27-12-26-17/h3-11H,12H2,1-2H3/b16-10+