4-(5-methoxy-3-nitro-1,2,4-triazol-1-yl)butan-2-one

Systemtic Name: 4-(5-methoxy-3-nitro-1,2,4-triazol-1-yl)butan-2-one Openeye Name: 4-(5-methoxy-3-nitro-1,2,4-triazol-1-yl)butan-2-one CAS Name: 4-(5-methoxy-3-nitro-1,2,4-triazol-1-yl)-2-butanone IUPAC Name: 4-(5-methoxy-3-nitro-1,2,4-triazol-1-yl)butan-2-one Traditional Name: 4-(5-methoxy-3-nitro-1,2,4-triazol-1-yl)butan-2-one Formula: C7H10N4O4 MolecularWeight: 214.1787

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H10N4O4/c1-5(12)3-4-10-7(15-2)8-6(9-10)11(13)14/h3-4H2,1-2H3