2-ethoxy-4-[2-methyl-5-oxidanylidene-3-(oxolan-2-ylmethoxycarbonyl)-4,4a,6,7-tetrahydro-1H-quinolin-4-yl]-6-nitro-phenolate

Systemtic Name: 2-ethoxy-4-[2-methyl-5-oxidanylidene-3-(oxolan-2-ylmethoxycarbonyl)-4,4a,6,7-tetrahydro-1H-quinolin-4-yl]-6-nitro-phenolate Openeye Name: 2-ethoxy-4-[2-methyl-5-oxo-3-(tetrahydrofuran-2-ylmethoxycarbonyl)-4,4a,6,7-tetrahydro-1H-quinolin-4-yl]-6-nitro-phenolate CAS Name: 2-ethoxy-4-[2-methyl-5-oxo-3-[oxo(2-oxolanylmethoxy)methyl]-4,4a,6,7-tetrahydro-1H-quinolin-4-yl]-6-nitrophenolate IUPAC Name: 2-ethoxy-4-[2-methyl-5-oxo-3-(oxolan-2-ylmethoxycarbonyl)-4,4a,6,7-tetrahydro-1H-quinolin-4-yl]-6-nitrophenolate Traditional Name: 2-ethoxy-4-[5-keto-2-methyl-3-(tetrahydrofurfuryloxycarbonyl)-4,4a,6,7-tetrahydro-1H-quinolin-4-yl]-6-nitro-phenolate Formula: C24H27N2O8- MolecularWeight: 471.47978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2C3C(=O)CCC=C3NC(=C2C(=O)OCC4CCCO4)C

Isomeric SMILES

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2C3C(=O)CCC=C3NC(=C2C(=O)OCC4CCCO4)C

InChI

InChI=1S/C24H28N2O8/c1-3-32-19-11-14(10-17(23(19)28)26(30)31)21-20(24(29)34-12-15-6-5-9-33-15)13(2)25-16-7-4-8-18(27)22(16)21/h7,10-11,15,21-22,25,28H,3-6,8-9,12H2,1-2H3/p-1