methyl 1-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methyl]-4-phenyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methyl]-4-phenyl-isonipecotic acid methyl ester Formula: C22H22N4O6 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)CC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1(CCN(CC1)CC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O6/c1-32-21(29)22(15-5-3-2-4-6-15)7-9-25(10-8-22)13-14-11-16(26(30)31)12-17-18(14)24-20(28)19(27)23-17/h2-6,11-12H,7-10,13H2,1H3,(H,23,27)(H,24,28)