(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(2-nitrophenyl)sulfanylethanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(2-nitrophenyl)sulfanylethanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(2-nitrophenyl)sulfanylacetate CAS Name: 2-[(2-nitrophenyl)thio]acetic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(2-nitrophenyl)thio]acetic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C16H12N4O5S MolecularWeight: 372.35528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CSC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CSC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O5S/c21-15(9-26-14-8-4-3-7-13(14)20(23)24)25-10-19-16(22)11-5-1-2-6-12(11)17-18-19/h1-8H,9-10H2