[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methyl-phenylmethoxycarbonyl-amino]methylphosphonic acid

Systemtic Name: [[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methyl-phenylmethoxycarbonyl-amino]methylphosphonic acid Openeye Name: [benzyloxycarbonyl-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]amino]methylphosphonic acid CAS Name: [(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl-phenylmethoxycarbonylamino]methylphosphonic acid IUPAC Name: [(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl-phenylmethoxycarbonylamino]methylphosphonic acid Traditional Name: [(7-bromo-2,3-diketo-1,4-dihydroquinoxalin-5-yl)methyl-carbobenzoxy-amino]methylphosphonic acid Formula: C18H17BrN3O7P MolecularWeight: 498.221241

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N(CC2=CC(=CC3=C2NC(=O)C(=O)N3)Br)CP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N(CC2=CC(=CC3=C2NC(=O)C(=O)N3)Br)CP(=O)(O)O

InChI

InChI=1S/C18H17BrN3O7P/c19-13-6-12(15-14(7-13)20-16(23)17(24)21-15)8-22(10-30(26,27)28)18(25)29-9-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,20,23)(H,21,24)(H2,26,27,28)