2-[5-(4-bromophenyl)-1,2,3,4-tetrazol-2-yl]-1-(4-methyl-3-nitro-phenyl)ethanone

Systemtic Name: 2-[5-(4-bromophenyl)-1,2,3,4-tetrazol-2-yl]-1-(4-methyl-3-nitro-phenyl)ethanone Openeye Name: 2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(4-methyl-3-nitro-phenyl)ethanone CAS Name: 2-[5-(4-bromophenyl)-2-tetrazolyl]-1-(4-methyl-3-nitrophenyl)ethanone IUPAC Name: 2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(4-methyl-3-nitrophenyl)ethanone Traditional Name: 2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(4-methyl-3-nitro-phenyl)ethanone Formula: C16H12BrN5O3 MolecularWeight: 402.20218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CN2N=C(N=N2)C3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CN2N=C(N=N2)C3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H12BrN5O3/c1-10-2-3-12(8-14(10)22(24)25)15(23)9-21-19-16(18-20-21)11-4-6-13(17)7-5-11/h2-8H,9H2,1H3