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

Systemtic Name: 1-[3-nitro-4-[5-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-2-yl]phenyl]ethanone Openeye Name: 1-[4-[5-(4-isopropylphenyl)tetrazol-2-yl]-3-nitro-phenyl]ethanone CAS Name: 1-[3-nitro-4-[5-(4-propan-2-ylphenyl)-2-tetrazolyl]phenyl]ethanone IUPAC Name: 1-[3-nitro-4-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]phenyl]ethanone Traditional Name: 1-[3-nitro-4-(5-p-cumenyltetrazol-2-yl)phenyl]ethanone Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NN(N=N2)C3=C(C=C(C=C3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NN(N=N2)C3=C(C=C(C=C3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O3/c1-11(2)13-4-6-14(7-5-13)18-19-21-22(20-18)16-9-8-15(12(3)24)10-17(16)23(25)26/h4-11H,1-3H3