(3-azanylidene-1-oxidanidyl-1,2,4-benzotriazin-1-ium-4-yl) 4-methylbenzoate

Systemtic Name: (3-azanylidene-1-oxidanidyl-1,2,4-benzotriazin-1-ium-4-yl) 4-methylbenzoate Openeye Name: (3-imino-1-oxido-1,2,4-benzotriazin-1-ium-4-yl) 4-methylbenzoate CAS Name: 4-methylbenzoic acid (3-imino-1-oxido-1,2,4-benzotriazin-1-ium-4-yl) ester IUPAC Name: (3-imino-1-oxido-1,2,4-benzotriazin-1-ium-4-yl) 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (3-imino-1-oxido-1,2,4-benzotriazin-1-ium-4-yl) ester Formula: C15H12N4O3 MolecularWeight: 296.28078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)ON2C3=CC=CC=C3[N+](=NC2=N)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)ON2C3=CC=CC=C3[N+](=NC2=N)[O-]

InChI

InChI=1S/C15H12N4O3/c1-10-6-8-11(9-7-10)14(20)22-18-12-4-2-3-5-13(12)19(21)17-15(18)16/h2-9,16H,1H3