methyl (4Z)-4-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-1-(3-chlorophenyl)-2-methyl-5-oxidanylidene-pyrrole-3-carboxylate

Systemtic Name: methyl (4Z)-4-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-1-(3-chlorophenyl)-2-methyl-5-oxidanylidene-pyrrole-3-carboxylate Openeye Name: methyl (4Z)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-1-(3-chlorophenyl)-2-methyl-5-oxo-pyrrole-3-carboxylate CAS Name: (4Z)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(3-chlorophenyl)-2-methyl-5-oxo-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4Z)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(3-chlorophenyl)-2-methyl-5-oxopyrrole-3-carboxylate Traditional Name: (4Z)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-1-(3-chlorophenyl)-5-keto-2-methyl-2-pyrroline-3-carboxylic acid methyl ester Formula: C21H15BrClNO5 MolecularWeight: 476.7045

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC3=C(C=C2Br)OCO3)C(=O)N1C4=CC(=CC=C4)Cl)C(=O)OC

Isomeric SMILES

CC1=C(/C(=C/C2=CC3=C(C=C2Br)OCO3)/C(=O)N1C4=CC(=CC=C4)Cl)C(=O)OC

InChI

InChI=1S/C21H15BrClNO5/c1-11-19(21(26)27-2)15(20(25)24(11)14-5-3-4-13(23)8-14)6-12-7-17-18(9-16(12)22)29-10-28-17/h3-9H,10H2,1-2H3/b15-6-