ethyl (4R)-2-ethyl-4-(3-nitro-4-oxidanyl-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: ethyl (4R)-2-ethyl-4-(3-nitro-4-oxidanyl-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: ethyl (4R)-2-ethyl-4-(4-hydroxy-3-nitro-phenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R)-2-ethyl-4-(4-hydroxy-3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-2-ethyl-4-(4-hydroxy-3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R)-2-ethyl-4-(4-hydroxy-3-nitro-phenyl)-5-keto-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid ethyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(C1C(=O)OCC)C3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)CCC2

Isomeric SMILES

CCC1=NC2=C([C@H](C1C(=O)OCC)C3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)CCC2

InChI

InChI=1S/C20H22N2O6/c1-3-12-19(20(25)28-4-2)17(18-13(21-12)6-5-7-16(18)24)11-8-9-15(23)14(10-11)22(26)27/h8-10,17,19,23H,3-7H2,1-2H3/t17-,19?/m1/s1