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

Systemtic Name: [[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]-thiophen-3-yl-methyl]phosphonic acid Openeye Name: [[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-(3-thienyl)methyl]phosphonic acid CAS Name: [[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-(3-thiophenyl)methyl]phosphonic acid IUPAC Name: [[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-thiophen-3-ylmethyl]phosphonic acid Traditional Name: [[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methylamino]-(3-thienyl)methyl]phosphonic acid Formula: C14H13N4O7PS MolecularWeight: 412.314381

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC=C1C(NCC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-])P(=O)(O)O

Isomeric SMILES

C1=CSC=C1C(NCC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-])P(=O)(O)O

InChI

InChI=1S/C14H13N4O7PS/c19-12-13(20)17-11-8(3-9(18(21)22)4-10(11)16-12)5-15-14(26(23,24)25)7-1-2-27-6-7/h1-4,6,14-15H,5H2,(H,16,19)(H,17,20)(H2,23,24,25)