3-(3-nitrophenyl)-4-oxidanidyl-5,6,7,8-tetrahydroquinoxalin-1-ium 1-oxide

Systemtic Name: 3-(3-nitrophenyl)-4-oxidanidyl-5,6,7,8-tetrahydroquinoxalin-1-ium 1-oxide Openeye Name: 3-(3-nitrophenyl)-4-oxido-5,6,7,8-tetrahydroquinoxalin-1-ium 1-oxide CAS Name: 3-(3-nitrophenyl)-4-oxido-5,6,7,8-tetrahydroquinoxalin-1-ium 1-oxide IUPAC Name: 3-(3-nitrophenyl)-4-oxido-5,6,7,8-tetrahydroquinoxalin-1-ium 1-oxide Traditional Name: 3-(3-nitrophenyl)-4-oxido-5,6,7,8-tetrahydroquinoxalin-1-ium 1-oxide Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N(C(=C[N+]2=O)C3=CC(=CC=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1CCC2=C(C1)N(C(=C[N+]2=O)C3=CC(=CC=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C14H13N3O4/c18-15-9-14(10-4-3-5-11(8-10)17(20)21)16(19)13-7-2-1-6-12(13)15/h3-5,8-9H,1-2,6-7H2