[2-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]-3-phenoxy-propyl]phosphonic acid hydrochloride

Systemtic Name: [2-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]-3-phenoxy-propyl]phosphonic acid hydrochloride Openeye Name: [2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-3-phenoxy-propyl]phosphonic acid hydrochloride CAS Name: [2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-3-phenoxypropyl]phosphonic acid hydrochloride IUPAC Name: [2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-3-phenoxypropyl]phosphonic acid hydrochloride Traditional Name: [2-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methylamino]-3-phenoxy-propyl]phosphonic acid hydrochloride Formula: C18H20ClN4O8P MolecularWeight: 486.800161

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(CP(=O)(O)O)NCC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-].Cl

Isomeric SMILES

C1=CC=C(C=C1)OCC(CP(=O)(O)O)NCC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-].Cl

InChI

InChI=1S/C18H19N4O8P.ClH/c23-17-18(24)21-16-11(6-13(22(25)26)7-15(16)20-17)8-19-12(10-31(27,28)29)9-30-14-4-2-1-3-5-14;/h1-7,12,19H,8-10H2,(H,20,23)(H,21,24)(H2,27,28,29);1H