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

Systemtic Name: 5-[(E)-(5-bromanyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-4-(2-carboxyethyl)-2-methyl-1H-pyrrole-3-carboxylic acid Openeye Name: 5-[(E)-(5-bromo-2-oxo-indolin-3-ylidene)methyl]-4-(2-carboxyethyl)-2-methyl-1H-pyrrole-3-carboxylic acid CAS Name: 5-[(E)-(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-4-(2-carboxyethyl)-2-methyl-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-[(E)-(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-4-(2-carboxyethyl)-2-methyl-1H-pyrrole-3-carboxylic acid Traditional Name: 5-[(E)-(5-bromo-2-keto-indolin-3-ylidene)methyl]-4-(2-carboxyethyl)-2-methyl-1H-pyrrole-3-carboxylic acid Formula: C18H15BrN2O5 MolecularWeight: 419.2261

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C=C2C3=C(C=CC(=C3)Br)NC2=O)CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C(=C(N1)/C=C/2\C3=C(C=CC(=C3)Br)NC2=O)CCC(=O)O)C(=O)O

InChI

InChI=1S/C18H15BrN2O5/c1-8-16(18(25)26)10(3-5-15(22)23)14(20-8)7-12-11-6-9(19)2-4-13(11)21-17(12)24/h2,4,6-7,20H,3,5H2,1H3,(H,21,24)(H,22,23)(H,25,26)/b12-7+