(2-methylphenyl)-(5-nitro-3-oxidanidyl-benzotriazol-3-ium-1-yl)methanone

Systemtic Name: (2-methylphenyl)-(5-nitro-3-oxidanidyl-benzotriazol-3-ium-1-yl)methanone Openeye Name: (5-nitro-3-oxido-benzotriazol-3-ium-1-yl)-(o-tolyl)methanone CAS Name: (2-methylphenyl)-(5-nitro-3-oxido-1-benzotriazol-3-iumyl)methanone IUPAC Name: (2-methylphenyl)-(5-nitro-3-oxidobenzotriazol-3-ium-1-yl)methanone Traditional Name: (5-nitro-3-oxido-benzotriazol-3-ium-1-yl)-(o-tolyl)methanone Formula: C14H10N4O4 MolecularWeight: 298.2536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=N2)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=N2)[O-]

InChI

InChI=1S/C14H10N4O4/c1-9-4-2-3-5-11(9)14(19)16-12-7-6-10(18(21)22)8-13(12)17(20)15-16/h2-8H,1H3