4-[(Z)-[1-(4-bromophenyl)-4-methoxycarbonyl-5-methyl-2-oxidanylidene-pyrrol-3-ylidene]methyl]benzoate

Systemtic Name: 4-[(Z)-[1-(4-bromophenyl)-4-methoxycarbonyl-5-methyl-2-oxidanylidene-pyrrol-3-ylidene]methyl]benzoate Openeye Name: 4-[(Z)-[1-(4-bromophenyl)-4-methoxycarbonyl-5-methyl-2-oxo-pyrrol-3-ylidene]methyl]benzoate CAS Name: 4-[(Z)-[1-(4-bromophenyl)-4-methoxycarbonyl-5-methyl-2-oxo-3-pyrrolylidene]methyl]benzoate IUPAC Name: 4-[(Z)-[1-(4-bromophenyl)-4-methoxycarbonyl-5-methyl-2-oxopyrrol-3-ylidene]methyl]benzoate Traditional Name: 4-[(Z)-[1-(4-bromophenyl)-4-carbomethoxy-2-keto-5-methyl-2-pyrrolin-3-ylidene]methyl]benzoate Formula: C21H15BrNO5- MolecularWeight: 441.2515

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC=C(C=C2)C(=O)[O-])C(=O)N1C3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CC1=C(/C(=C/C2=CC=C(C=C2)C(=O)[O-])/C(=O)N1C3=CC=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C21H16BrNO5/c1-12-18(21(27)28-2)17(11-13-3-5-14(6-4-13)20(25)26)19(24)23(12)16-9-7-15(22)8-10-16/h3-11H,1-2H3,(H,25,26)/p-1/b17-11-