2-ethoxy-4-(2-methyl-5-oxidanylidene-3-propan-2-yloxycarbonyl-4,4a,6,7-tetrahydro-1H-quinolin-4-yl)-6-nitro-phenolate

Systemtic Name: 2-ethoxy-4-(2-methyl-5-oxidanylidene-3-propan-2-yloxycarbonyl-4,4a,6,7-tetrahydro-1H-quinolin-4-yl)-6-nitro-phenolate Openeye Name: 2-ethoxy-4-(3-isopropoxycarbonyl-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinolin-4-yl)-6-nitro-phenolate CAS Name: 2-ethoxy-4-[2-methyl-5-oxo-3-[oxo(propan-2-yloxy)methyl]-4,4a,6,7-tetrahydro-1H-quinolin-4-yl]-6-nitrophenolate IUPAC Name: 2-ethoxy-4-(2-methyl-5-oxo-3-propan-2-yloxycarbonyl-4,4a,6,7-tetrahydro-1H-quinolin-4-yl)-6-nitrophenolate Traditional Name: 2-ethoxy-4-(3-isopropoxycarbonyl-5-keto-2-methyl-4,4a,6,7-tetrahydro-1H-quinolin-4-yl)-6-nitro-phenolate Formula: C22H25N2O7- MolecularWeight: 429.4431

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O7/c1-5-30-17-10-13(9-15(21(17)26)24(28)29)19-18(22(27)31-11(2)3)12(4)23-14-7-6-8-16(25)20(14)19/h7,9-11,19-20,23,26H,5-6,8H2,1-4H3/p-1