4-[[1-(4-bromophenyl)-4-ethoxycarbonyl-5-methyl-2-oxidanylidene-pyrrol-3-ylidene]methyl]benzoic acid

Systemtic Name: 4-[[1-(4-bromophenyl)-4-ethoxycarbonyl-5-methyl-2-oxidanylidene-pyrrol-3-ylidene]methyl]benzoic acid Openeye Name: 4-[[1-(4-bromophenyl)-4-ethoxycarbonyl-5-methyl-2-oxo-pyrrol-3-ylidene]methyl]benzoic acid CAS Name: 4-[[1-(4-bromophenyl)-4-ethoxycarbonyl-5-methyl-2-oxo-3-pyrrolylidene]methyl]benzoic acid IUPAC Name: 4-[[1-(4-bromophenyl)-4-ethoxycarbonyl-5-methyl-2-oxopyrrol-3-ylidene]methyl]benzoic acid Traditional Name: 4-[[1-(4-bromophenyl)-4-carbethoxy-2-keto-5-methyl-2-pyrrolin-3-ylidene]methyl]benzoic acid Formula: C22H18BrNO5 MolecularWeight: 456.28602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)C1=CC2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)C1=CC2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C22H18BrNO5/c1-3-29-22(28)19-13(2)24(17-10-8-16(23)9-11-17)20(25)18(19)12-14-4-6-15(7-5-14)21(26)27/h4-12H,3H2,1-2H3,(H,26,27)