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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNCC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-])P(=O)(O)O.Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(CNCC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-])P(=O)(O)O.Cl

InChI

InChI=1S/C18H19N4O8P.ClH/c1-30-13-4-2-10(3-5-13)15(31(27,28)29)9-19-8-11-6-12(22(25)26)7-14-16(11)21-18(24)17(23)20-14;/h2-7,15,19H,8-9H2,1H3,(H,20,23)(H,21,24)(H2,27,28,29);1H