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

Systemtic Name: 5-[(5-bromanyl-2-oxidanylidene-3H-indol-1-ium-1-ylidene)methyl]-1H-pyrrole-3-carboxylic acid Openeye Name: 5-[(5-bromo-2-oxo-indolin-1-ium-1-ylidene)methyl]-1H-pyrrole-3-carboxylic acid CAS Name: 5-[(5-bromo-2-oxo-3H-indol-1-ium-1-ylidene)methyl]-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-[(5-bromo-2-oxo-3H-indol-1-ium-1-ylidene)methyl]-1H-pyrrole-3-carboxylic acid Traditional Name: 5-[(5-bromo-2-keto-indolin-1-ium-1-ylidene)methyl]-1H-pyrrole-3-carboxylic acid Formula: C14H10BrN2O3+ MolecularWeight: 334.1448

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)Br)[N+](=CC3=CC(=CN3)C(=O)O)C1=O

Isomeric SMILES

C1C2=C(C=CC(=C2)Br)[N+](=CC3=CC(=CN3)C(=O)O)C1=O

InChI

InChI=1S/C14H9BrN2O3/c15-10-1-2-12-8(3-10)5-13(18)17(12)7-11-4-9(6-16-11)14(19)20/h1-4,6-7H,5H2,(H,19,20)/p+1