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

Systemtic Name: methyl (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-5-oxidanylidene-1H-pyrrole-3-carboxylate Openeye Name: methyl (4E)-4-(1,3-benzodioxol-5-ylmethylene)-2-methyl-5-oxo-1H-pyrrole-3-carboxylate CAS Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-5-oxo-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-5-oxo-1H-pyrrole-3-carboxylate Traditional Name: (4E)-5-keto-2-methyl-4-piperonylidene-2-pyrroline-3-carboxylic acid methyl ester Formula: C15H13NO5 MolecularWeight: 287.26742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC3=C(C=C2)OCO3)C(=O)N1)C(=O)OC

Isomeric SMILES

CC1=C(/C(=C\C2=CC3=C(C=C2)OCO3)/C(=O)N1)C(=O)OC

InChI

InChI=1S/C15H13NO5/c1-8-13(15(18)19-2)10(14(17)16-8)5-9-3-4-11-12(6-9)21-7-20-11/h3-6H,7H2,1-2H3,(H,16,17)/b10-5+