4-[5-(aziridin-1-yl)-3-nitro-1,2,4-triazol-1-yl]butan-2-one

Systemtic Name: 4-[5-(aziridin-1-yl)-3-nitro-1,2,4-triazol-1-yl]butan-2-one Openeye Name: 4-[5-(aziridin-1-yl)-3-nitro-1,2,4-triazol-1-yl]butan-2-one CAS Name: 4-[5-(1-aziridinyl)-3-nitro-1,2,4-triazol-1-yl]-2-butanone IUPAC Name: 4-[5-(aziridin-1-yl)-3-nitro-1,2,4-triazol-1-yl]butan-2-one Traditional Name: 4-(5-ethylenimino-3-nitro-1,2,4-triazol-1-yl)butan-2-one Formula: C8H11N5O3 MolecularWeight: 225.20464

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1C(=NC(=N1)[N+](=O)[O-])N2CC2

Isomeric SMILES

CC(=O)CCN1C(=NC(=N1)[N+](=O)[O-])N2CC2

InChI

InChI=1S/C8H11N5O3/c1-6(14)2-3-12-8(11-4-5-11)9-7(10-12)13(15)16/h2-5H2,1H3