4-[(4S)-2-methyl-5-oxidanylidene-3-piperidin-1-ylcarbonyl-4,6,7,8-tetrahydro-3H-quinolin-4-yl]-2-nitro-phenolate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)N3CCCCC3)C4=CC(=C(C=C4)[O-])[N+](=O)[O-])C(=O)CCC2

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)N3CCCCC3)C4=CC(=C(C=C4)[O-])[N+](=O)[O-])C(=O)CCC2

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/h8-9,12,19-20,26H,2-7,10-11H2,1H3/p-1/t19?,20-/m1/s1