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

Systemtic Name: 2-nitro-4-[(4R)-2,7,7-trimethyl-5-oxidanylidene-3-pentoxycarbonyl-3,4,6,8-tetrahydroquinolin-4-yl]phenolate Openeye Name: 2-nitro-4-[(4R)-2,7,7-trimethyl-5-oxo-3-pentoxycarbonyl-3,4,6,8-tetrahydroquinolin-4-yl]phenolate CAS Name: 2-nitro-4-[(4R)-2,7,7-trimethyl-5-oxo-3-[oxo(pentoxy)methyl]-3,4,6,8-tetrahydroquinolin-4-yl]phenolate IUPAC Name: 2-nitro-4-[(4R)-2,7,7-trimethyl-5-oxo-3-pentoxycarbonyl-3,4,6,8-tetrahydroquinolin-4-yl]phenolate Traditional Name: 4-[(4R)-3-amoxycarbonyl-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinolin-4-yl]-2-nitro-phenolate Formula: C24H29N2O6- MolecularWeight: 441.49686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O6/c1-5-6-7-10-32-23(29)20-14(2)25-16-12-24(3,4)13-19(28)22(16)21(20)15-8-9-18(27)17(11-15)26(30)31/h8-9,11,20-21,27H,5-7,10,12-13H2,1-4H3/p-1/t20?,21-/m0/s1