ethyl 2-methyl-4-[3-(2-methyl-2-nitrooxy-propanoyl)oxyphenyl]-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 2-methyl-4-[3-(2-methyl-2-nitrooxy-propanoyl)oxyphenyl]-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: ethyl 2-methyl-4-[3-(2-methyl-2-nitrooxy-propanoyl)oxyphenyl]-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 2-methyl-4-[3-(2-methyl-2-nitrooxy-1-oxopropoxy)phenyl]-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-[3-(2-methyl-2-nitrooxypropanoyl)oxyphenyl]-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-2-methyl-4-[3-(2-methyl-2-nitrooxy-propanoyl)oxyphenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester Formula: C23H26N2O8 MolecularWeight: 458.46114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)OC(=O)C(C)(C)O[N+](=O)[O-])C(=O)CCC2)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)OC(=O)C(C)(C)O[N+](=O)[O-])C(=O)CCC2)C

InChI

InChI=1S/C23H26N2O8/c1-5-31-21(27)18-13(2)24-16-10-7-11-17(26)20(16)19(18)14-8-6-9-15(12-14)32-22(28)23(3,4)33-25(29)30/h6,8-9,12,19,24H,5,7,10-11H2,1-4H3