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

Systemtic Name: 4-(2-carboxyethyl)-2-methyl-5-[(E)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylic acid Openeye Name: 4-(2-carboxyethyl)-2-methyl-5-[(E)-(2-oxoindolin-3-ylidene)methyl]-1H-pyrrole-3-carboxylic acid CAS Name: 4-(2-carboxyethyl)-2-methyl-5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylic acid IUPAC Name: 4-(2-carboxyethyl)-2-methyl-5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylic acid Traditional Name: 4-(2-carboxyethyl)-5-[(E)-(2-ketoindolin-3-ylidene)methyl]-2-methyl-1H-pyrrole-3-carboxylic acid Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C=C2C3=CC=CC=C3NC2=O)CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C(=C(N1)/C=C/2\C3=CC=CC=C3NC2=O)CCC(=O)O)C(=O)O

InChI

InChI=1S/C18H16N2O5/c1-9-16(18(24)25)11(6-7-15(21)22)14(19-9)8-12-10-4-2-3-5-13(10)20-17(12)23/h2-5,8,19H,6-7H2,1H3,(H,20,23)(H,21,22)(H,24,25)/b12-8+