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

Systemtic Name: 2-(4-aminophenyl)-4,6-bis(chloranyl)-3-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)indole-2-carboxylic acid Openeye Name: 2-(4-aminophenyl)-3-(1-carboxyvinyl)-4,6-dichloro-indole-2-carboxylic acid CAS Name: 2-(4-aminophenyl)-4,6-dichloro-3-(3-hydroxy-3-oxoprop-1-en-2-yl)-2-indolecarboxylic acid IUPAC Name: 2-(4-aminophenyl)-4,6-dichloro-3-(3-hydroxy-3-oxoprop-1-en-2-yl)indole-2-carboxylic acid Traditional Name: 2-(4-aminophenyl)-3-(1-carboxyvinyl)-4,6-dichloro-indole-2-carboxylic acid Formula: C18H12Cl2N2O4 MolecularWeight: 391.20488

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=C2C(=CC(=CC2=NC1(C3=CC=C(C=C3)N)C(=O)O)Cl)Cl)C(=O)O

Isomeric SMILES

C=C(C1=C2C(=CC(=CC2=NC1(C3=CC=C(C=C3)N)C(=O)O)Cl)Cl)C(=O)O

InChI

InChI=1S/C18H12Cl2N2O4/c1-8(16(23)24)15-14-12(20)6-10(19)7-13(14)22-18(15,17(25)26)9-2-4-11(21)5-3-9/h2-7H,1,21H2,(H,23,24)(H,25,26)