1-[4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[3-(4-methyl-1,2,4-triazol-3-yl)-1-piperidyl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[3-(4-methyl-1,2,4-triazol-3-yl)-1-piperidinyl]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidino]-3-nitro-phenyl]ethanone Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCCC(C2)C3=NN=CN3C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCCC(C2)C3=NN=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O3/c1-11(22)12-5-6-14(15(8-12)21(23)24)20-7-3-4-13(9-20)16-18-17-10-19(16)2/h5-6,8,10,13H,3-4,7,9H2,1-2H3