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

Systemtic Name: sodium 4,6-bis(chloranyl)-3-[3-(cyclopropylmethylamino)-3-oxidanylidene-prop-1-ynyl]-1H-indole-2-carboxylate Openeye Name: sodium 4,6-dichloro-3-[3-(cyclopropylmethylamino)-3-oxo-prop-1-ynyl]-1H-indole-2-carboxylate CAS Name: sodium 4,6-dichloro-3-[3-(cyclopropylmethylamino)-3-oxoprop-1-ynyl]-1H-indole-2-carboxylate IUPAC Name: sodium 4,6-dichloro-3-[3-(cyclopropylmethylamino)-3-oxoprop-1-ynyl]-1H-indole-2-carboxylate Traditional Name: sodium 4,6-dichloro-3-[3-(cyclopropylmethylamino)-3-keto-prop-1-ynyl]-1H-indole-2-carboxylate Formula: C16H11Cl2N2NaO3 MolecularWeight: 373.16591

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CNC(=O)C#CC2=C(NC3=CC(=CC(=C32)Cl)Cl)C(=O)[O-].[Na+]

Isomeric SMILES

C1CC1CNC(=O)C#CC2=C(NC3=CC(=CC(=C32)Cl)Cl)C(=O)[O-].[Na+]

InChI

InChI=1S/C16H12Cl2N2O3.Na/c17-9-5-11(18)14-10(15(16(22)23)20-12(14)6-9)3-4-13(21)19-7-8-1-2-8;/h5-6,8,20H,1-2,7H2,(H,19,21)(H,22,23);/q;+1/p-1