4,6-bis(chloranyl)-2-(4-methylphenyl)-3-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)indole-2-carboxylic acid

Systemtic Name: 4,6-bis(chloranyl)-2-(4-methylphenyl)-3-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)indole-2-carboxylic acid Openeye Name: 3-(1-carboxyvinyl)-4,6-dichloro-2-(p-tolyl)indole-2-carboxylic acid CAS Name: 4,6-dichloro-3-(3-hydroxy-3-oxoprop-1-en-2-yl)-2-(4-methylphenyl)-2-indolecarboxylic acid IUPAC Name: 4,6-dichloro-3-(3-hydroxy-3-oxoprop-1-en-2-yl)-2-(4-methylphenyl)indole-2-carboxylic acid Traditional Name: 3-(1-carboxyvinyl)-4,6-dichloro-2-(p-tolyl)indole-2-carboxylic acid Formula: C19H13Cl2NO4 MolecularWeight: 390.21682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(C(=C3C(=CC(=CC3=N2)Cl)Cl)C(=C)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2(C(=C3C(=CC(=CC3=N2)Cl)Cl)C(=C)C(=O)O)C(=O)O

InChI

InChI=1S/C19H13Cl2NO4/c1-9-3-5-11(6-4-9)19(18(25)26)16(10(2)17(23)24)15-13(21)7-12(20)8-14(15)22-19/h3-8H,2H2,1H3,(H,23,24)(H,25,26)