1-(butylamino)-3-(3-nitro-2H-1,2,3-triazol-1-yl)propan-2-one

Systemtic Name: 1-(butylamino)-3-(3-nitro-2H-1,2,3-triazol-1-yl)propan-2-one Openeye Name: 1-(butylamino)-3-(3-nitro-2H-triazol-1-yl)propan-2-one CAS Name: 1-(butylamino)-3-(3-nitro-2H-triazol-1-yl)-2-propanone IUPAC Name: 1-(butylamino)-3-(3-nitro-2H-triazol-1-yl)propan-2-one Traditional Name: 1-(butylamino)-3-(3-nitro-2H-triazol-1-yl)acetone Formula: C9H17N5O3 MolecularWeight: 243.26298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC(=O)CN1C=CN(N1)[N+](=O)[O-]

Isomeric SMILES

CCCCNCC(=O)CN1C=CN(N1)[N+](=O)[O-]

InChI

InChI=1S/C9H17N5O3/c1-2-3-4-10-7-9(15)8-12-5-6-13(11-12)14(16)17/h5-6,10-11H,2-4,7-8H2,1H3