sodium 4,6-bis(chloranyl)-3-[3-(naphthalen-1-ylamino)-3-oxidanylidene-prop-1-ynyl]-1H-indole-2-carboxylate

Systemtic Name: sodium 4,6-bis(chloranyl)-3-[3-(naphthalen-1-ylamino)-3-oxidanylidene-prop-1-ynyl]-1H-indole-2-carboxylate Openeye Name: sodium 4,6-dichloro-3-[3-(1-naphthylamino)-3-oxo-prop-1-ynyl]-1H-indole-2-carboxylate CAS Name: sodium 4,6-dichloro-3-[3-(1-naphthalenylamino)-3-oxoprop-1-ynyl]-1H-indole-2-carboxylate IUPAC Name: sodium 4,6-dichloro-3-[3-(naphthalen-1-ylamino)-3-oxoprop-1-ynyl]-1H-indole-2-carboxylate Traditional Name: sodium 4,6-dichloro-3-[3-keto-3-(1-naphthylamino)prop-1-ynyl]-1H-indole-2-carboxylate Formula: C22H11Cl2N2NaO3 MolecularWeight: 445.23011

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC(=O)C#CC3=C(NC4=CC(=CC(=C43)Cl)Cl)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=O)C#CC3=C(NC4=CC(=CC(=C43)Cl)Cl)C(=O)[O-].[Na+]

InChI

InChI=1S/C22H12Cl2N2O3.Na/c23-13-10-16(24)20-15(21(22(28)29)26-18(20)11-13)8-9-19(27)25-17-7-3-5-12-4-1-2-6-14(12)17;/h1-7,10-11,26H,(H,25,27)(H,28,29);/q;+1/p-1