2-[(E)-[4-(4-bromophenyl)-2-oxidanylidene-1H-indol-3-ylidene]methyl]-5-methyl-pyrrole-1-carboxylic acid

Systemtic Name: 2-[(E)-[4-(4-bromophenyl)-2-oxidanylidene-1H-indol-3-ylidene]methyl]-5-methyl-pyrrole-1-carboxylic acid Openeye Name: 2-[(E)-[4-(4-bromophenyl)-2-oxo-indolin-3-ylidene]methyl]-5-methyl-pyrrole-1-carboxylic acid CAS Name: 2-[(E)-[4-(4-bromophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-methyl-1-pyrrolecarboxylic acid IUPAC Name: 2-[(E)-[4-(4-bromophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-methylpyrrole-1-carboxylic acid Traditional Name: 2-[(E)-[4-(4-bromophenyl)-2-keto-indolin-3-ylidene]methyl]-5-methyl-pyrrole-1-carboxylic acid Formula: C21H15BrN2O3 MolecularWeight: 423.2594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C(=O)O)C=C2C3=C(C=CC=C3NC2=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(N1C(=O)O)/C=C/2\C3=C(C=CC=C3NC2=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H15BrN2O3/c1-12-5-10-15(24(12)21(26)27)11-17-19-16(13-6-8-14(22)9-7-13)3-2-4-18(19)23-20(17)25/h2-11H,1H3,(H,23,25)(H,26,27)/b17-11+