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

Systemtic Name: sodium 4,6-bis(chloranyl)-3-(3-oxidanylidene-3-phenylazanyl-prop-1-ynyl)-1H-indole-2-carboxylate Openeye Name: sodium 3-(3-anilino-3-oxo-prop-1-ynyl)-4,6-dichloro-1H-indole-2-carboxylate CAS Name: sodium 3-(3-anilino-3-oxoprop-1-ynyl)-4,6-dichloro-1H-indole-2-carboxylate IUPAC Name: sodium 3-(3-anilino-3-oxoprop-1-ynyl)-4,6-dichloro-1H-indole-2-carboxylate Traditional Name: sodium 3-(3-anilino-3-keto-prop-1-ynyl)-4,6-dichloro-1H-indole-2-carboxylate Formula: C18H9Cl2N2NaO3 MolecularWeight: 395.17143

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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-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C#CC2=C(NC3=CC(=CC(=C32)Cl)Cl)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H10Cl2N2O3.Na/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);/q;+1/p-1