3-methyl-6-(5-nitro-1,2,3,4-tetrazol-2-yl)-5-phenyl-cyclohex-2-en-1-one

Systemtic Name: 3-methyl-6-(5-nitro-1,2,3,4-tetrazol-2-yl)-5-phenyl-cyclohex-2-en-1-one Openeye Name: 3-methyl-6-(5-nitrotetrazol-2-yl)-5-phenyl-cyclohex-2-en-1-one CAS Name: 3-methyl-6-(5-nitro-2-tetrazolyl)-5-phenyl-1-cyclohex-2-enone IUPAC Name: 3-methyl-6-(5-nitrotetrazol-2-yl)-5-phenylcyclohex-2-en-1-one Traditional Name: 3-methyl-6-(5-nitrotetrazol-2-yl)-5-phenyl-cyclohex-2-en-1-one Formula: C14H13N5O3 MolecularWeight: 299.28472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(C(C1)C2=CC=CC=C2)N3N=C(N=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)C(C(C1)C2=CC=CC=C2)N3N=C(N=N3)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O3/c1-9-7-11(10-5-3-2-4-6-10)13(12(20)8-9)18-16-14(15-17-18)19(21)22/h2-6,8,11,13H,7H2,1H3