(3R)-6-nitro-2-oxidanylidene-1-(5-oxidanylidenehexyl)-3,4-dihydroquinoline-3-carboxylate

Systemtic Name: (3R)-6-nitro-2-oxidanylidene-1-(5-oxidanylidenehexyl)-3,4-dihydroquinoline-3-carboxylate Openeye Name: (3R)-6-nitro-2-oxo-1-(5-oxohexyl)-3,4-dihydroquinoline-3-carboxylate CAS Name: (3R)-6-nitro-2-oxo-1-(5-oxohexyl)-3,4-dihydroquinoline-3-carboxylate IUPAC Name: (3R)-6-nitro-2-oxo-1-(5-oxohexyl)-3,4-dihydroquinoline-3-carboxylate Traditional Name: (3R)-2-keto-1-(5-ketohexyl)-6-nitro-3,4-dihydroquinoline-3-carboxylate Formula: C16H17N2O6- MolecularWeight: 333.31598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCN1C2=C(CC(C1=O)C(=O)[O-])C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CCCCN1C2=C(C[C@H](C1=O)C(=O)[O-])C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O6/c1-10(19)4-2-3-7-17-14-6-5-12(18(23)24)8-11(14)9-13(15(17)20)16(21)22/h5-6,8,13H,2-4,7,9H2,1H3,(H,21,22)/p-1/t13-/m1/s1