4-(2-methylidene-5-oxidanylidene-3-piperidin-1-ylcarbonyl-1,3,4,6,7,8-hexahydroquinolin-4-yl)-2-nitro-phenolate

Systemtic Name: 4-(2-methylidene-5-oxidanylidene-3-piperidin-1-ylcarbonyl-1,3,4,6,7,8-hexahydroquinolin-4-yl)-2-nitro-phenolate Openeye Name: 4-[2-methylene-5-oxo-3-(piperidine-1-carbonyl)-1,3,4,6,7,8-hexahydroquinolin-4-yl]-2-nitro-phenolate CAS Name: 4-[2-methylene-5-oxo-3-[oxo(1-piperidinyl)methyl]-1,3,4,6,7,8-hexahydroquinolin-4-yl]-2-nitrophenolate IUPAC Name: 4-[2-methylidene-5-oxo-3-(piperidine-1-carbonyl)-1,3,4,6,7,8-hexahydroquinolin-4-yl]-2-nitrophenolate Traditional Name: 4-[5-keto-2-methylene-3-(piperidine-1-carbonyl)-1,3,4,6,7,8-hexahydroquinolin-4-yl]-2-nitro-phenolate Formula: C22H24N3O5- MolecularWeight: 410.44306

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)[O-])[N+](=O)[O-])C(=O)N4CCCCC4

Isomeric SMILES

C=C1C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)[O-])[N+](=O)[O-])C(=O)N4CCCCC4

InChI

InChI=1S/C22H25N3O5/c1-13-19(22(28)24-10-3-2-4-11-24)20(21-15(23-13)6-5-7-18(21)27)14-8-9-17(26)16(12-14)25(29)30/h8-9,12,19-20,23,26H,1-7,10-11H2/p-1