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

Systemtic Name: [[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]-(1H-pyrrol-2-yl)methyl]phosphonic acid hydrobromide Openeye Name: [[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-(1H-pyrrol-2-yl)methyl]phosphonic acid hydrobromide CAS Name: [[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-(1H-pyrrol-2-yl)methyl]phosphonic acid hydrobromide IUPAC Name: [[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-(1H-pyrrol-2-yl)methyl]phosphonic acid hydrobromide Traditional Name: [[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methylamino]-(1H-pyrrol-2-yl)methyl]phosphonic acid hydrobromide Formula: C14H15BrN5O7P MolecularWeight: 476.175961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N5O7P.BrH/c20-12-13(21)18-11-7(4-8(19(22)23)5-10(11)17-12)6-16-14(27(24,25)26)9-2-1-3-15-9;/h1-5,14-16H,6H2,(H,17,20)(H,18,21)(H2,24,25,26);1H