(4aS,8aS)-3-(4-nitrophenyl)-4-oxidanidyl-4a,5,6,7,8,8a-hexahydroquinoxalin-1-ium 1-oxide

Systemtic Name: (4aS,8aS)-3-(4-nitrophenyl)-4-oxidanidyl-4a,5,6,7,8,8a-hexahydroquinoxalin-1-ium 1-oxide Openeye Name: (4aS,8aS)-3-(4-nitrophenyl)-4-oxido-4a,5,6,7,8,8a-hexahydroquinoxalin-1-ium 1-oxide CAS Name: (4aS,8aS)-3-(4-nitrophenyl)-4-oxido-4a,5,6,7,8,8a-hexahydroquinoxalin-1-ium 1-oxide IUPAC Name: (4aS,8aS)-3-(4-nitrophenyl)-4-oxido-4a,5,6,7,8,8a-hexahydroquinoxalin-1-ium 1-oxide Traditional Name: (4aS,8aS)-3-(4-nitrophenyl)-4-oxido-4a,5,6,7,8,8a-hexahydroquinoxalin-1-ium 1-oxide Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)N(C(=C[N+]2=O)C3=CC=C(C=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1CC[C@H]2[C@H](C1)N(C(=C[N+]2=O)C3=CC=C(C=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C14H15N3O4/c18-15-9-14(10-5-7-11(8-6-10)17(20)21)16(19)13-4-2-1-3-12(13)15/h5-9,12-13H,1-4H2/t12-,13-/m0/s1