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

Systemtic Name: 4,6-bis(chloranyl)-3-(3-oxidanylidene-3-phenylazanyl-prop-1-ynyl)-1H-indole-2-carboxylic acid Openeye Name: 3-(3-anilino-3-oxo-prop-1-ynyl)-4,6-dichloro-1H-indole-2-carboxylic acid CAS Name: 3-(3-anilino-3-oxoprop-1-ynyl)-4,6-dichloro-1H-indole-2-carboxylic acid IUPAC Name: 3-(3-anilino-3-oxoprop-1-ynyl)-4,6-dichloro-1H-indole-2-carboxylic acid Traditional Name: 3-(3-anilino-3-keto-prop-1-ynyl)-4,6-dichloro-1H-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(NC3=CC(=CC(=C32)Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C#CC2=C(NC3=CC(=CC(=C32)Cl)Cl)C(=O)O

InChI

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