2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-(1H-1,2,4-triazol-5-yl)ethanimidate

Systemtic Name: 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-(1H-1,2,4-triazol-5-yl)ethanimidate Openeye Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-N-(1H-1,2,4-triazol-5-yl)ethanimidate CAS Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-N-(1H-1,2,4-triazol-5-yl)ethanimidate IUPAC Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-N-(1H-1,2,4-triazol-5-yl)ethanimidate Traditional Name: 2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)-N-(1H-1,2,4-triazol-5-yl)acetimidate Formula: C12H9N6O5- MolecularWeight: 317.23706

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=NC3=NC=NN3)[O-]

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=NC3=NC=NN3)[O-]

InChI

InChI=1S/C12H10N6O5/c19-10(15-12-13-6-14-16-12)4-17-8-3-7(18(21)22)1-2-9(8)23-5-11(17)20/h1-3,6H,4-5H2,(H2,13,14,15,16,19)/p-1