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

Systemtic Name: methyl (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(3-bromophenyl)-2-methyl-5-oxidanylidene-pyrrole-3-carboxylate Openeye Name: methyl (4Z)-4-(1,3-benzodioxol-5-ylmethylene)-1-(3-bromophenyl)-2-methyl-5-oxo-pyrrole-3-carboxylate CAS Name: (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(3-bromophenyl)-2-methyl-5-oxo-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(3-bromophenyl)-2-methyl-5-oxopyrrole-3-carboxylate Traditional Name: (4Z)-1-(3-bromophenyl)-5-keto-2-methyl-4-piperonylidene-2-pyrroline-3-carboxylic acid methyl ester Formula: C21H16BrNO5 MolecularWeight: 442.25944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrNO5/c1-12-19(21(25)26-2)16(8-13-6-7-17-18(9-13)28-11-27-17)20(24)23(12)15-5-3-4-14(22)10-15/h3-10H,11H2,1-2H3/b16-8-