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

Systemtic Name: [(3-methoxy-2-oxidanyl-phenyl)-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]methyl]phosphonic acid Openeye Name: [(2-hydroxy-3-methoxy-phenyl)-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]methyl]phosphonic acid CAS Name: [(2-hydroxy-3-methoxyphenyl)-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]methyl]phosphonic acid IUPAC Name: [(2-hydroxy-3-methoxyphenyl)-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]methyl]phosphonic acid Traditional Name: [[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methylamino]-(2-hydroxy-3-methoxy-phenyl)methyl]phosphonic acid Formula: C17H17N4O9P MolecularWeight: 452.312041

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C(NCC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-])P(=O)(O)O

Isomeric SMILES

COC1=CC=CC(=C1O)C(NCC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-])P(=O)(O)O

InChI

InChI=1S/C17H17N4O9P/c1-30-12-4-2-3-10(14(12)22)17(31(27,28)29)18-7-8-5-9(21(25)26)6-11-13(8)20-16(24)15(23)19-11/h2-6,17-18,22H,7H2,1H3,(H,19,23)(H,20,24)(H2,27,28,29)