2-methyl-1-(4-nitrobenzotriazol-1-yl)propan-1-one

Systemtic Name: 2-methyl-1-(4-nitrobenzotriazol-1-yl)propan-1-one Openeye Name: 2-methyl-1-(4-nitrobenzotriazol-1-yl)propan-1-one CAS Name: 2-methyl-1-(4-nitro-1-benzotriazolyl)-1-propanone IUPAC Name: 2-methyl-1-(4-nitrobenzotriazol-1-yl)propan-1-one Traditional Name: 2-methyl-1-(4-nitrobenzotriazol-1-yl)propan-1-one Formula: C10H10N4O3 MolecularWeight: 234.2114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1C2=C(C(=CC=C2)[N+](=O)[O-])N=N1

Isomeric SMILES

CC(C)C(=O)N1C2=C(C(=CC=C2)[N+](=O)[O-])N=N1

InChI

InChI=1S/C10H10N4O3/c1-6(2)10(15)13-7-4-3-5-8(14(16)17)9(7)11-12-13/h3-6H,1-2H3