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

Systemtic Name: (3-azanylidene-1-oxidanidyl-1,2,4-benzotriazin-1-ium-4-yl) 2-phenylethanoate Openeye Name: (3-imino-1-oxido-1,2,4-benzotriazin-1-ium-4-yl) 2-phenylacetate CAS Name: 2-phenylacetic 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) 2-phenylacetate Traditional Name: 2-phenylacetic 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:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N4O3/c16-15-17-19(21)13-9-5-4-8-12(13)18(15)22-14(20)10-11-6-2-1-3-7-11/h1-9,16H,10H2