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

Systemtic Name: [[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]-phenyl-methyl]phosphonic acid Openeye Name: [[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-phenyl-methyl]phosphonic acid CAS Name: [[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-phenylmethyl]phosphonic acid IUPAC Name: [[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-phenylmethyl]phosphonic acid Traditional Name: [[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methylamino]-phenyl-methyl]phosphonic acid Formula: C16H15N4O7P MolecularWeight: 406.286661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N4O7P/c21-14-15(22)19-13-10(6-11(20(23)24)7-12(13)18-14)8-17-16(28(25,26)27)9-4-2-1-3-5-9/h1-7,16-17H,8H2,(H,18,21)(H,19,22)(H2,25,26,27)