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

Systemtic Name: 2-[[1-(4-bromophenyl)-4-methoxycarbonyl-5-methyl-2-oxidanylidene-pyrrol-3-ylidene]methyl]benzoic acid Openeye Name: 2-[[1-(4-bromophenyl)-4-methoxycarbonyl-5-methyl-2-oxo-pyrrol-3-ylidene]methyl]benzoic acid CAS Name: 2-[[1-(4-bromophenyl)-4-methoxycarbonyl-5-methyl-2-oxo-3-pyrrolylidene]methyl]benzoic acid IUPAC Name: 2-[[1-(4-bromophenyl)-4-methoxycarbonyl-5-methyl-2-oxopyrrol-3-ylidene]methyl]benzoic acid Traditional Name: 2-[[1-(4-bromophenyl)-4-carbomethoxy-2-keto-5-methyl-2-pyrrolin-3-ylidene]methyl]benzoic acid Formula: C21H16BrNO5 MolecularWeight: 442.25944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC=CC=C2C(=O)O)C(=O)N1C3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC2=CC=CC=C2C(=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(11-13-5-3-4-6-16(13)20(25)26)19(24)23(12)15-9-7-14(22)8-10-15/h3-11H,1-2H3,(H,25,26)