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

Systemtic Name: 5-[(4S)-3-methoxycarbonyl-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinolin-4-yl]-2-nitro-phenolate Openeye Name: 5-[(4S)-3-methoxycarbonyl-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinolin-4-yl]-2-nitro-phenolate CAS Name: 5-[(4S)-3-methoxycarbonyl-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinolin-4-yl]-2-nitrophenolate IUPAC Name: 5-[(4S)-3-methoxycarbonyl-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinolin-4-yl]-2-nitrophenolate Traditional Name: 5-[(4S)-3-carbomethoxy-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinolin-4-yl]-2-nitro-phenolate Formula: C20H21N2O6- MolecularWeight: 385.39054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC)C3=CC(=C(C=C3)[N+](=O)[O-])[O-])C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OC)C3=CC(=C(C=C3)[N+](=O)[O-])[O-])C(=O)CC(C2)(C)C

InChI

InChI=1S/C20H22N2O6/c1-10-16(19(25)28-4)17(11-5-6-13(22(26)27)14(23)7-11)18-12(21-10)8-20(2,3)9-15(18)24/h5-7,16-17,23H,8-9H2,1-4H3/p-1/t16?,17-/m1/s1