1-[5-methyl-2-(4-nitrophenyl)-1,2,3-triazol-4-yl]propan-2-one

Systemtic Name: 1-[5-methyl-2-(4-nitrophenyl)-1,2,3-triazol-4-yl]propan-2-one Openeye Name: 1-[5-methyl-2-(4-nitrophenyl)triazol-4-yl]propan-2-one CAS Name: 1-[5-methyl-2-(4-nitrophenyl)-4-triazolyl]-2-propanone IUPAC Name: 1-[5-methyl-2-(4-nitrophenyl)triazol-4-yl]propan-2-one Traditional Name: 1-[5-methyl-2-(4-nitrophenyl)triazol-4-yl]acetone Formula: C12H12N4O3 MolecularWeight: 260.24868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1CC(=O)C)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(N=C1CC(=O)C)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O3/c1-8(17)7-12-9(2)13-15(14-12)10-3-5-11(6-4-10)16(18)19/h3-6H,7H2,1-2H3