[1-oxidanidyl-4-oxidanylidene-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl nitrate

Systemtic Name: [1-oxidanidyl-4-oxidanylidene-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl nitrate Openeye Name: (3-benzoyl-1-oxido-4-oxo-quinoxalin-4-ium-2-yl)methyl nitrate CAS Name: nitric acid (3-benzoyl-1-oxido-4-oxo-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-benzoyl-1-oxido-4-oxoquinoxalin-4-ium-2-yl)methyl nitrate Traditional Name: nitric acid (3-benzoyl-4-keto-1-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C16H11N3O6 MolecularWeight: 341.27504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(N(C3=CC=CC=C3[N+]2=O)[O-])CO[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(N(C3=CC=CC=C3[N+]2=O)[O-])CO[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O6/c20-16(11-6-2-1-3-7-11)15-14(10-25-19(23)24)17(21)12-8-4-5-9-13(12)18(15)22/h1-9H,10H2