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

Systemtic Name: 4,6-bis(chloranyl)-2-(4-methoxyphenyl)-3-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)indole-2-carboxylic acid Openeye Name: 3-(1-carboxyvinyl)-4,6-dichloro-2-(4-methoxyphenyl)indole-2-carboxylic acid CAS Name: 4,6-dichloro-3-(3-hydroxy-3-oxoprop-1-en-2-yl)-2-(4-methoxyphenyl)-2-indolecarboxylic acid IUPAC Name: 4,6-dichloro-3-(3-hydroxy-3-oxoprop-1-en-2-yl)-2-(4-methoxyphenyl)indole-2-carboxylic acid Traditional Name: 3-(1-carboxyvinyl)-4,6-dichloro-2-(4-methoxyphenyl)indole-2-carboxylic acid Formula: C19H13Cl2NO5 MolecularWeight: 406.21622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(C(=C3C(=CC(=CC3=N2)Cl)Cl)C(=C)C(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2(C(=C3C(=CC(=CC3=N2)Cl)Cl)C(=C)C(=O)O)C(=O)O

InChI

InChI=1S/C19H13Cl2NO5/c1-9(17(23)24)16-15-13(21)7-11(20)8-14(15)22-19(16,18(25)26)10-3-5-12(27-2)6-4-10/h3-8H,1H2,2H3,(H,23,24)(H,25,26)