2-nitro-4-[(4S)-2,7,7-trimethyl-5-oxidanylidene-3-propoxycarbonyl-1,4,6,8-tetrahydroquinolin-4-yl]phenolate

Systemtic Name: 2-nitro-4-[(4S)-2,7,7-trimethyl-5-oxidanylidene-3-propoxycarbonyl-1,4,6,8-tetrahydroquinolin-4-yl]phenolate Openeye Name: 2-nitro-4-[(4S)-2,7,7-trimethyl-5-oxo-3-propoxycarbonyl-1,4,6,8-tetrahydroquinolin-4-yl]phenolate CAS Name: 2-nitro-4-[(4S)-2,7,7-trimethyl-5-oxo-3-[oxo(propoxy)methyl]-1,4,6,8-tetrahydroquinolin-4-yl]phenolate IUPAC Name: 2-nitro-4-[(4S)-2,7,7-trimethyl-5-oxo-3-propoxycarbonyl-1,4,6,8-tetrahydroquinolin-4-yl]phenolate Traditional Name: 4-[(4S)-5-keto-2,7,7-trimethyl-3-propoxycarbonyl-1,4,6,8-tetrahydroquinolin-4-yl]-2-nitro-phenolate Formula: C22H25N2O6- MolecularWeight: 413.4437

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)[O-])[N+](=O)[O-])C(=O)CC(C2)(C)C)C

Isomeric SMILES

CCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC(=C(C=C3)[O-])[N+](=O)[O-])C(=O)CC(C2)(C)C)C

InChI

InChI=1S/C22H26N2O6/c1-5-8-30-21(27)18-12(2)23-14-10-22(3,4)11-17(26)20(14)19(18)13-6-7-16(25)15(9-13)24(28)29/h6-7,9,19,23,25H,5,8,10-11H2,1-4H3/p-1/t19-/m1/s1