1-methoxy-3-(4-nitro-1,2,3-triazol-1-yl)propan-2-one

Systemtic Name: 1-methoxy-3-(4-nitro-1,2,3-triazol-1-yl)propan-2-one Openeye Name: 1-methoxy-3-(4-nitrotriazol-1-yl)propan-2-one CAS Name: 1-methoxy-3-(4-nitro-1-triazolyl)-2-propanone IUPAC Name: 1-methoxy-3-(4-nitrotriazol-1-yl)propan-2-one Traditional Name: 1-methoxy-3-(4-nitrotriazol-1-yl)acetone Formula: C6H8N4O4 MolecularWeight: 200.15212

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)CN1C=C(N=N1)[N+](=O)[O-]

Isomeric SMILES

COCC(=O)CN1C=C(N=N1)[N+](=O)[O-]

InChI

InChI=1S/C6H8N4O4/c1-14-4-5(11)2-9-3-6(7-8-9)10(12)13/h3H,2,4H2,1H3