2-methoxy-6-nitro-4-[(4R)-2,7,7-trimethyl-5-oxidanylidene-3-piperidin-1-ylcarbonyl-3,4,6,8-tetrahydroquinolin-4-yl]phenolate

Systemtic Name: 2-methoxy-6-nitro-4-[(4R)-2,7,7-trimethyl-5-oxidanylidene-3-piperidin-1-ylcarbonyl-3,4,6,8-tetrahydroquinolin-4-yl]phenolate Openeye Name: 2-methoxy-6-nitro-4-[(4R)-2,7,7-trimethyl-5-oxo-3-(piperidine-1-carbonyl)-3,4,6,8-tetrahydroquinolin-4-yl]phenolate CAS Name: 2-methoxy-6-nitro-4-[(4R)-2,7,7-trimethyl-5-oxo-3-[oxo(1-piperidinyl)methyl]-3,4,6,8-tetrahydroquinolin-4-yl]phenolate IUPAC Name: 2-methoxy-6-nitro-4-[(4R)-2,7,7-trimethyl-5-oxo-3-(piperidine-1-carbonyl)-3,4,6,8-tetrahydroquinolin-4-yl]phenolate Traditional Name: 4-[(4R)-5-keto-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-3,4,6,8-tetrahydroquinolin-4-yl]-2-methoxy-6-nitro-phenolate Formula: C25H30N3O6- MolecularWeight: 468.5222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)N3CCCCC3)C4=CC(=C(C(=C4)OC)[O-])[N+](=O)[O-])C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@H](C1C(=O)N3CCCCC3)C4=CC(=C(C(=C4)OC)[O-])[N+](=O)[O-])C(=O)CC(C2)(C)C

InChI

InChI=1S/C25H31N3O6/c1-14-20(24(31)27-8-6-5-7-9-27)21(22-16(26-14)12-25(2,3)13-18(22)29)15-10-17(28(32)33)23(30)19(11-15)34-4/h10-11,20-21,30H,5-9,12-13H2,1-4H3/p-1/t20?,21-/m0/s1