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

Systemtic Name: [[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]-phenyl-methyl]phosphonic acid Openeye Name: [[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-phenyl-methyl]phosphonic acid CAS Name: [[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-phenylmethyl]phosphonic acid IUPAC Name: [[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-phenylmethyl]phosphonic acid Traditional Name: [[(7-bromo-2,3-diketo-1,4-dihydroquinoxalin-5-yl)methylamino]-phenyl-methyl]phosphonic acid Formula: C16H15BrN3O5P MolecularWeight: 440.185161

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(NCC2=CC(=CC3=C2NC(=O)C(=O)N3)Br)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)C(NCC2=CC(=CC3=C2NC(=O)C(=O)N3)Br)P(=O)(O)O

InChI

InChI=1S/C16H15BrN3O5P/c17-11-6-10(13-12(7-11)19-14(21)15(22)20-13)8-18-16(26(23,24)25)9-4-2-1-3-5-9/h1-7,16,18H,8H2,(H,19,21)(H,20,22)(H2,23,24,25)