(3S,5R)-3,5-bis(furan-2-yl)-6-nitro-2-phenyl-4,5-dihydro-3H-1,2,4-triazin-4-ium

Systemtic Name: (3S,5R)-3,5-bis(furan-2-yl)-6-nitro-2-phenyl-4,5-dihydro-3H-1,2,4-triazin-4-ium Openeye Name: (3S,5R)-3,5-bis(2-furyl)-6-nitro-2-phenyl-4,5-dihydro-3H-1,2,4-triazin-4-ium CAS Name: (3S,5R)-3,5-bis(2-furanyl)-6-nitro-2-phenyl-4,5-dihydro-3H-1,2,4-triazin-4-ium IUPAC Name: (3S,5R)-3,5-bis(furan-2-yl)-6-nitro-2-phenyl-4,5-dihydro-3H-1,2,4-triazin-4-ium Traditional Name: (3S,5R)-3,5-bis(2-furyl)-6-nitro-2-phenyl-4,5-dihydro-3H-1,2,4-triazin-4-ium Formula: C17H15N4O4+ MolecularWeight: 339.3254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C([NH2+]C(C(=N2)[N+](=O)[O-])C3=CC=CO3)C4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)N2[C@H]([NH2+][C@H](C(=N2)[N+](=O)[O-])C3=CC=CO3)C4=CC=CO4

InChI

InChI=1S/C17H14N4O4/c22-21(23)17-15(13-8-4-10-24-13)18-16(14-9-5-11-25-14)20(19-17)12-6-2-1-3-7-12/h1-11,15-16,18H/p+1/t15-,16-/m0/s1