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

Systemtic Name: 5-[(E)-(5-bromanyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-2,4-di(propan-2-yl)-1H-pyrrole-3-carboxylic acid Openeye Name: 5-[(E)-(5-bromo-2-oxo-indolin-3-ylidene)methyl]-2,4-diisopropyl-1H-pyrrole-3-carboxylic acid CAS Name: 5-[(E)-(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-2,4-di(propan-2-yl)-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-[(E)-(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-2,4-di(propan-2-yl)-1H-pyrrole-3-carboxylic acid Traditional Name: 5-[(E)-(5-bromo-2-keto-indolin-3-ylidene)methyl]-2,4-diisopropyl-1H-pyrrole-3-carboxylic acid Formula: C20H21BrN2O3 MolecularWeight: 417.29634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(NC(=C1C(=O)O)C(C)C)C=C2C3=C(C=CC(=C3)Br)NC2=O

Isomeric SMILES

CC(C)C1=C(NC(=C1C(=O)O)C(C)C)/C=C/2\C3=C(C=CC(=C3)Br)NC2=O

InChI

InChI=1S/C20H21BrN2O3/c1-9(2)16-15(22-18(10(3)4)17(16)20(25)26)8-13-12-7-11(21)5-6-14(12)23-19(13)24/h5-10,22H,1-4H3,(H,23,24)(H,25,26)/b13-8+