sodium 4-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-1-phenyl-6,8-dihydro-4H-quinolin-4-yl)phenolate

Systemtic Name: sodium 4-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-1-phenyl-6,8-dihydro-4H-quinolin-4-yl)phenolate Openeye Name: sodium 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-4H-quinolin-4-yl)phenolate CAS Name: sodium 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-4H-quinolin-4-yl)phenolate IUPAC Name: sodium 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-4H-quinolin-4-yl)phenolate Traditional Name: sodium 4-(2-amino-3-cyano-5-keto-7,7-dimethyl-1-phenyl-6,8-dihydro-4H-quinolin-4-yl)phenolate Formula: C24H22N3NaO2 MolecularWeight: 407.44015

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=CC=CC=C3)N)C#N)C4=CC=C(C=C4)[O-])C(=O)C1)C.[Na+]

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2C3=CC=CC=C3)N)C#N)C4=CC=C(C=C4)[O-])C(=O)C1)C.[Na+]

InChI

InChI=1S/C24H23N3O2.Na/c1-24(2)12-19-22(20(29)13-24)21(15-8-10-17(28)11-9-15)18(14-25)23(26)27(19)16-6-4-3-5-7-16;/h3-11,21,28H,12-13,26H2,1-2H3;/q;+1/p-1