methane; [[7-nitro-2,3-bis(oxidanylidene)quinoxalin-4-ium-5-yl]-(phenylmethyl)amino]phosphonous acid

Systemtic Name: methane; [[7-nitro-2,3-bis(oxidanylidene)quinoxalin-4-ium-5-yl]-(phenylmethyl)amino]phosphonous acid Openeye Name: [benzyl-(7-nitro-2,3-dioxo-quinoxalin-4-ium-5-yl)amino]phosphonous acid; methane CAS Name: methane; [(7-nitro-2,3-dioxo-5-quinoxalin-4-iumyl)-(phenylmethyl)amino]phosphonous acid IUPAC Name: [benzyl-(7-nitro-2,3-dioxoquinoxalin-4-ium-5-yl)amino]phosphonous acid; methane Traditional Name: [benzyl-(2,3-diketo-7-nitro-quinoxalin-4-ium-5-yl)amino]phosphonous acid; methane Formula: C16H16N4O6P+ MolecularWeight: 391.295201

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Descriptors Computed from Structure

Canonical SMILES:

C.C1=CC=C(C=C1)CN(C2=CC(=CC3=NC(=O)C(=O)[NH+]=C23)[N+](=O)[O-])P(O)O

Isomeric SMILES

C.C1=CC=C(C=C1)CN(C2=CC(=CC3=NC(=O)C(=O)[NH+]=C23)[N+](=O)[O-])P(O)O

InChI

InChI=1S/C15H11N4O6P.CH4/c20-14-15(21)17-13-11(16-14)6-10(19(22)23)7-12(13)18(26(24)25)8-9-4-2-1-3-5-9;/h1-7,24-25H,8H2;1H4/p+1