2-(3-aminophenyl)-4,6-bis(chloranyl)-3-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]indole-2-carboxylic acid

Systemtic Name: 2-(3-aminophenyl)-4,6-bis(chloranyl)-3-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]indole-2-carboxylic acid Openeye Name: 2-(3-aminophenyl)-4,6-dichloro-3-[(E)-3-hydroxy-3-oxo-prop-1-enyl]indole-2-carboxylic acid CAS Name: 2-(3-aminophenyl)-4,6-dichloro-3-[(E)-3-hydroxy-3-oxoprop-1-enyl]-2-indolecarboxylic acid IUPAC Name: 2-(3-aminophenyl)-4,6-dichloro-3-[(E)-3-hydroxy-3-oxoprop-1-enyl]indole-2-carboxylic acid Traditional Name: 2-(3-aminophenyl)-4,6-dichloro-3-[(E)-3-hydroxy-3-keto-prop-1-enyl]indole-2-carboxylic acid Formula: C18H12Cl2N2O4 MolecularWeight: 391.20488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12Cl2N2O4/c19-10-7-13(20)16-12(4-5-15(23)24)18(17(25)26,22-14(16)8-10)9-2-1-3-11(21)6-9/h1-8H,21H2,(H,23,24)(H,25,26)/b5-4+