3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-1,2,3-benzotriazin-4-one Formula: C13H12N6O3 MolecularWeight: 300.27278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2C(=O)C3=CC=CC=C3N=N2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CN2C(=O)C3=CC=CC=C3N=N2)C)[N+](=O)[O-]

InChI

InChI=1S/C13H12N6O3/c1-8-12(19(21)22)9(2)17(15-8)7-18-13(20)10-5-3-4-6-11(10)14-16-18/h3-6H,7H2,1-2H3