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

Systemtic Name: 5-[(E)-(5-bromanyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-3-methyl-4-(phenylcarbonyl)-1H-pyrrole-2-carboxylic acid Openeye Name: 4-benzoyl-5-[(E)-(5-bromo-2-oxo-indolin-3-ylidene)methyl]-3-methyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-benzoyl-5-[(E)-(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-benzoyl-5-[(E)-(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-benzoyl-5-[(E)-(5-bromo-2-keto-indolin-3-ylidene)methyl]-3-methyl-1H-pyrrole-2-carboxylic acid Formula: C22H15BrN2O4 MolecularWeight: 451.2695

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C2=CC=CC=C2)C=C3C4=C(C=CC(=C4)Br)NC3=O)C(=O)O

Isomeric SMILES

CC1=C(NC(=C1C(=O)C2=CC=CC=C2)/C=C/3\C4=C(C=CC(=C4)Br)NC3=O)C(=O)O

InChI

InChI=1S/C22H15BrN2O4/c1-11-18(20(26)12-5-3-2-4-6-12)17(24-19(11)22(28)29)10-15-14-9-13(23)7-8-16(14)25-21(15)27/h2-10,24H,1H3,(H,25,27)(H,28,29)/b15-10+