[2-[3-(chloromethyl)-5-methyl-1,2,4-triazol-4-yl]-5-nitro-phenyl]-pyridin-2-yl-methanone

Systemtic Name: [2-[3-(chloromethyl)-5-methyl-1,2,4-triazol-4-yl]-5-nitro-phenyl]-pyridin-2-yl-methanone Openeye Name: [2-[3-(chloromethyl)-5-methyl-1,2,4-triazol-4-yl]-5-nitro-phenyl]-(2-pyridyl)methanone CAS Name: [2-[3-(chloromethyl)-5-methyl-1,2,4-triazol-4-yl]-5-nitrophenyl]-(2-pyridinyl)methanone IUPAC Name: [2-[3-(chloromethyl)-5-methyl-1,2,4-triazol-4-yl]-5-nitrophenyl]-pyridin-2-ylmethanone Traditional Name: [2-[3-(chloromethyl)-5-methyl-1,2,4-triazol-4-yl]-5-nitro-phenyl]-(2-pyridyl)methanone Formula: C16H12ClN5O3 MolecularWeight: 357.75118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=N3)CCl

Isomeric SMILES

CC1=NN=C(N1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=N3)CCl

InChI

InChI=1S/C16H12ClN5O3/c1-10-19-20-15(9-17)21(10)14-6-5-11(22(24)25)8-12(14)16(23)13-4-2-3-7-18-13/h2-8H,9H2,1H3