7-nitro-5-[(2-oxidanylidene-3-phenyl-piperidin-1-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione

Systemtic Name: 7-nitro-5-[(2-oxidanylidene-3-phenyl-piperidin-1-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione Openeye Name: 7-nitro-5-[(2-oxo-3-phenyl-1-piperidyl)methyl]-1,4-dihydroquinoxaline-2,3-dione CAS Name: 7-nitro-5-[(2-oxo-3-phenyl-1-piperidinyl)methyl]-1,4-dihydroquinoxaline-2,3-dione IUPAC Name: 7-nitro-5-[(2-oxo-3-phenylpiperidin-1-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione Traditional Name: 5-[(2-keto-3-phenyl-piperidino)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-quinone Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(C1)CC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CC(C(=O)N(C1)CC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C20H18N4O5/c25-18-19(26)22-17-13(9-14(24(28)29)10-16(17)21-18)11-23-8-4-7-15(20(23)27)12-5-2-1-3-6-12/h1-3,5-6,9-10,15H,4,7-8,11H2,(H,21,25)(H,22,26)