propan-2-yl (4R)-4-(3-ethoxy-5-nitro-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: propan-2-yl (4R)-4-(3-ethoxy-5-nitro-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: isopropyl (4R)-4-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4R)-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (4R)-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4R)-4-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-5-keto-2-methyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid isopropyl ester Formula: C22H26N2O7 MolecularWeight: 430.45104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C2C3C(=NC(=C2C(=O)OC(C)C)C)CCCC3=O

Isomeric SMILES

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])[C@H]2C3C(=NC(=C2C(=O)OC(C)C)C)CCCC3=O

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/h9-11,19-20,26H,5-8H2,1-4H3/t19-,20?/m1/s1