1-methyl-4-[5-nitro-2-(1,2-oxazol-3-ylcarbonyl)phenyl]-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-methyl-4-[5-nitro-2-(1,2-oxazol-3-ylcarbonyl)phenyl]-1,2,3,4-tetrazol-5-one Openeye Name: 1-[2-(isoxazole-3-carbonyl)-5-nitro-phenyl]-4-methyl-tetrazol-5-one CAS Name: 1-[2-[3-isoxazolyl(oxo)methyl]-5-nitrophenyl]-4-methyl-5-tetrazolone IUPAC Name: 1-methyl-4-[5-nitro-2-(1,2-oxazole-3-carbonyl)phenyl]tetrazol-5-one Traditional Name: 1-[2-(isoxazole-3-carbonyl)-5-nitro-phenyl]-4-methyl-tetrazol-5-one Formula: C12H8N6O5 MolecularWeight: 316.22912

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)N(N=N1)C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)C3=NOC=C3

Isomeric SMILES

CN1C(=O)N(N=N1)C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)C3=NOC=C3

InChI

InChI=1S/C12H8N6O5/c1-16-12(20)17(15-14-16)10-6-7(18(21)22)2-3-8(10)11(19)9-4-5-23-13-9/h2-6H,1H3