sodium 3-[(E)-3-(2-adamantylamino)-3-oxidanylidene-prop-1-enyl]-4,6-bis(chloranyl)-1H-indole-2-carboxylate

Systemtic Name: sodium 3-[(E)-3-(2-adamantylamino)-3-oxidanylidene-prop-1-enyl]-4,6-bis(chloranyl)-1H-indole-2-carboxylate Openeye Name: sodium 3-[(E)-3-(2-adamantylamino)-3-oxo-prop-1-enyl]-4,6-dichloro-1H-indole-2-carboxylate CAS Name: sodium 3-[(E)-3-(2-adamantylamino)-3-oxoprop-1-enyl]-4,6-dichloro-1H-indole-2-carboxylate IUPAC Name: sodium 3-[(E)-3-(2-adamantylamino)-3-oxoprop-1-enyl]-4,6-dichloro-1H-indole-2-carboxylate Traditional Name: sodium 3-[(E)-3-(2-adamantylamino)-3-keto-prop-1-enyl]-4,6-dichloro-1H-indole-2-carboxylate Formula: C22H21Cl2N2NaO3 MolecularWeight: 455.30951

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)C=CC4=C(NC5=CC(=CC(=C54)Cl)Cl)C(=O)[O-].[Na+]

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)/C=C/C4=C(NC5=CC(=CC(=C54)Cl)Cl)C(=O)[O-].[Na+]

InChI

InChI=1S/C22H22Cl2N2O3.Na/c23-14-8-16(24)19-15(21(22(28)29)25-17(19)9-14)1-2-18(27)26-20-12-4-10-3-11(6-12)7-13(20)5-10;/h1-2,8-13,20,25H,3-7H2,(H,26,27)(H,28,29);/q;+1/p-1/b2-1+;