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

Systemtic Name: 5-[(4R)-3-ethoxycarbonyl-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinolin-4-yl]-2-nitro-phenolate Openeye Name: 5-[(4R)-3-ethoxycarbonyl-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinolin-4-yl]-2-nitro-phenolate CAS Name: 5-[(4R)-3-ethoxycarbonyl-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinolin-4-yl]-2-nitrophenolate IUPAC Name: 5-[(4R)-3-ethoxycarbonyl-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinolin-4-yl]-2-nitrophenolate Traditional Name: 5-[(4R)-3-carbethoxy-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinolin-4-yl]-2-nitro-phenolate Formula: C21H23N2O6- MolecularWeight: 399.41712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(CC(CC2=O)(C)C)N=C1C)C3=CC(=C(C=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CCOC(=O)C1[C@@H](C2=C(CC(CC2=O)(C)C)N=C1C)C3=CC(=C(C=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C21H24N2O6/c1-5-29-20(26)17-11(2)22-13-9-21(3,4)10-16(25)19(13)18(17)12-6-7-14(23(27)28)15(24)8-12/h6-8,17-18,24H,5,9-10H2,1-4H3/p-1/t17?,18-/m0/s1