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

Systemtic Name: [3-methyl-1-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]butyl]phosphonic acid Openeye Name: [3-methyl-1-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]butyl]phosphonic acid CAS Name: [3-methyl-1-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]butyl]phosphonic acid IUPAC Name: [3-methyl-1-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]butyl]phosphonic acid Traditional Name: [1-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methylamino]-3-methyl-butyl]phosphonic acid Formula: C14H19N4O7P MolecularWeight: 386.297021

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(NCC1=CC(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-])P(=O)(O)O

Isomeric SMILES

CC(C)CC(NCC1=CC(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-])P(=O)(O)O

InChI

InChI=1S/C14H19N4O7P/c1-7(2)3-11(26(23,24)25)15-6-8-4-9(18(21)22)5-10-12(8)17-14(20)13(19)16-10/h4-5,7,11,15H,3,6H2,1-2H3,(H,16,19)(H,17,20)(H2,23,24,25)