3,5-dimethyl-7-nitro-1,2,3,5-benzotetrazepin-4-one

Systemtic Name: 3,5-dimethyl-7-nitro-1,2,3,5-benzotetrazepin-4-one Openeye Name: 3,5-dimethyl-7-nitro-1,2,3,5-benzotetrazepin-4-one CAS Name: 3,5-dimethyl-7-nitro-1,2,3,5-benzotetrazepin-4-one IUPAC Name: 3,5-dimethyl-7-nitro-1,2,3,5-benzotetrazepin-4-one Traditional Name: 3,5-dimethyl-7-nitro-1,2,3,5-benzotetrazepin-4-one Formula: C9H9N5O3 MolecularWeight: 235.19946

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)[N+](=O)[O-])N=NN(C1=O)C

Isomeric SMILES

CN1C2=C(C=CC(=C2)[N+](=O)[O-])N=NN(C1=O)C

InChI

InChI=1S/C9H9N5O3/c1-12-8-5-6(14(16)17)3-4-7(8)10-11-13(2)9(12)15/h3-5H,1-2H3