4,6-bis(chloranyl)-2-(3-oxidanylidene-3-phenylazanyl-prop-1-ynyl)indole-2-carboxylic acid

Systemtic Name: 4,6-bis(chloranyl)-2-(3-oxidanylidene-3-phenylazanyl-prop-1-ynyl)indole-2-carboxylic acid Openeye Name: 2-(3-anilino-3-oxo-prop-1-ynyl)-4,6-dichloro-indole-2-carboxylic acid CAS Name: 2-(3-anilino-3-oxoprop-1-ynyl)-4,6-dichloro-2-indolecarboxylic acid IUPAC Name: 2-(3-anilino-3-oxoprop-1-ynyl)-4,6-dichloroindole-2-carboxylic acid Traditional Name: 2-(3-anilino-3-keto-prop-1-ynyl)-4,6-dichloro-indole-2-carboxylic acid Formula: C18H10Cl2N2O3 MolecularWeight: 373.1896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C#CC2(C=C3C(=CC(=CC3=N2)Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C#CC2(C=C3C(=CC(=CC3=N2)Cl)Cl)C(=O)O

InChI

InChI=1S/C18H10Cl2N2O3/c19-11-8-14(20)13-10-18(17(24)25,22-15(13)9-11)7-6-16(23)21-12-4-2-1-3-5-12/h1-5,8-10H,(H,21,23)(H,24,25)