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

Systemtic Name: [2-[3-(bromomethyl)-5-methyl-1,2,4-triazol-4-yl]-5-nitro-phenyl]-phenyl-methanone Openeye Name: [2-[3-(bromomethyl)-5-methyl-1,2,4-triazol-4-yl]-5-nitro-phenyl]-phenyl-methanone CAS Name: [2-[3-(bromomethyl)-5-methyl-1,2,4-triazol-4-yl]-5-nitrophenyl]-phenylmethanone IUPAC Name: [2-[3-(bromomethyl)-5-methyl-1,2,4-triazol-4-yl]-5-nitrophenyl]-phenylmethanone Traditional Name: [2-[3-(bromomethyl)-5-methyl-1,2,4-triazol-4-yl]-5-nitro-phenyl]-phenyl-methanone Formula: C17H13BrN4O3 MolecularWeight: 401.21412

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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=C3)CBr

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrN4O3/c1-11-19-20-16(10-18)21(11)15-8-7-13(22(24)25)9-14(15)17(23)12-5-3-2-4-6-12/h2-9H,10H2,1H3