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

Systemtic Name: [[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]-pyridin-3-yl-methyl]phosphonic acid Openeye Name: [[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-(3-pyridyl)methyl]phosphonic acid CAS Name: [[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-(3-pyridinyl)methyl]phosphonic acid IUPAC Name: [[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-pyridin-3-ylmethyl]phosphonic acid Traditional Name: [[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methylamino]-(3-pyridyl)methyl]phosphonic acid Formula: C15H14N5O7P MolecularWeight: 407.274721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N5O7P/c21-13-14(22)19-12-9(4-10(20(23)24)5-11(12)18-13)7-17-15(28(25,26)27)8-2-1-3-16-6-8/h1-6,15,17H,7H2,(H,18,21)(H,19,22)(H2,25,26,27)