3-methyl-5-[(E)-(2-oxidanylidene-6-phenyl-1H-indol-3-ylidene)methyl]-4-(phenylcarbonyl)-1H-pyrrole-2-carboxylic acid

Systemtic Name: 3-methyl-5-[(E)-(2-oxidanylidene-6-phenyl-1H-indol-3-ylidene)methyl]-4-(phenylcarbonyl)-1H-pyrrole-2-carboxylic acid Openeye Name: 4-benzoyl-3-methyl-5-[(E)-(2-oxo-6-phenyl-indolin-3-ylidene)methyl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-benzoyl-3-methyl-5-[(E)-(2-oxo-6-phenyl-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-benzoyl-3-methyl-5-[(E)-(2-oxo-6-phenyl-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-benzoyl-5-[(E)-(2-keto-6-phenyl-indolin-3-ylidene)methyl]-3-methyl-1H-pyrrole-2-carboxylic acid Formula: C28H20N2O4 MolecularWeight: 448.4694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C2=CC=CC=C2)C=C3C4=C(C=C(C=C4)C5=CC=CC=C5)NC3=O)C(=O)O

Isomeric SMILES

CC1=C(NC(=C1C(=O)C2=CC=CC=C2)/C=C/3\C4=C(C=C(C=C4)C5=CC=CC=C5)NC3=O)C(=O)O

InChI

InChI=1S/C28H20N2O4/c1-16-24(26(31)18-10-6-3-7-11-18)23(29-25(16)28(33)34)15-21-20-13-12-19(14-22(20)30-27(21)32)17-8-4-2-5-9-17/h2-15,29H,1H3,(H,30,32)(H,33,34)/b21-15+