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

Systemtic Name: sodium 4,6-bis(chloranyl)-3-[3-(cyclohexylamino)-3-oxidanylidene-prop-1-ynyl]-1H-indole-2-carboxylate Openeye Name: sodium 4,6-dichloro-3-[3-(cyclohexylamino)-3-oxo-prop-1-ynyl]-1H-indole-2-carboxylate CAS Name: sodium 4,6-dichloro-3-[3-(cyclohexylamino)-3-oxoprop-1-ynyl]-1H-indole-2-carboxylate IUPAC Name: sodium 4,6-dichloro-3-[3-(cyclohexylamino)-3-oxoprop-1-ynyl]-1H-indole-2-carboxylate Traditional Name: sodium 4,6-dichloro-3-[3-(cyclohexylamino)-3-keto-prop-1-ynyl]-1H-indole-2-carboxylate Formula: C18H15Cl2N2NaO3 MolecularWeight: 401.21907

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C#CC2=C(NC3=CC(=CC(=C32)Cl)Cl)C(=O)[O-].[Na+]

Isomeric SMILES

C1CCC(CC1)NC(=O)C#CC2=C(NC3=CC(=CC(=C32)Cl)Cl)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H16Cl2N2O3.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;/h8-9,11,22H,1-5H2,(H,21,23)(H,24,25);/q;+1/p-1