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

Systemtic Name: [(4-methoxycarbonylphenyl)-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]methyl]phosphonic acid Openeye Name: [(4-methoxycarbonylphenyl)-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]methyl]phosphonic acid CAS Name: [(4-methoxycarbonylphenyl)-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]methyl]phosphonic acid IUPAC Name: [(4-methoxycarbonylphenyl)-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]methyl]phosphonic acid Traditional Name: [(4-carbomethoxyphenyl)-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methylamino]methyl]phosphonic acid Formula: C18H17N4O9P MolecularWeight: 464.322741

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(NCC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-])P(=O)(O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(NCC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-])P(=O)(O)O

InChI

InChI=1S/C18H17N4O9P/c1-31-18(25)10-4-2-9(3-5-10)17(32(28,29)30)19-8-11-6-12(22(26)27)7-13-14(11)21-16(24)15(23)20-13/h2-7,17,19H,8H2,1H3,(H,20,23)(H,21,24)(H2,28,29,30)