3-(2-methylphenyl)-5,7-dinitro-1,2,3-benzotriazin-4-one

Systemtic Name: 3-(2-methylphenyl)-5,7-dinitro-1,2,3-benzotriazin-4-one Openeye Name: 5,7-dinitro-3-(o-tolyl)-1,2,3-benzotriazin-4-one CAS Name: 3-(2-methylphenyl)-5,7-dinitro-1,2,3-benzotriazin-4-one IUPAC Name: 3-(2-methylphenyl)-5,7-dinitro-1,2,3-benzotriazin-4-one Traditional Name: 5,7-dinitro-3-(o-tolyl)-1,2,3-benzotriazin-4-one Formula: C14H9N5O5 MolecularWeight: 327.25176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3N=N2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3N=N2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H9N5O5/c1-8-4-2-3-5-11(8)17-14(20)13-10(15-16-17)6-9(18(21)22)7-12(13)19(23)24/h2-7H,1H3