(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-nitro-4-phenylsulfanyl-benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-nitro-4-phenylsulfanyl-benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-nitro-4-phenylsulfanyl-benzoate CAS Name: 3-nitro-4-(phenylthio)benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-nitro-4-phenylsulfanylbenzoate Traditional Name: 3-nitro-4-(phenylthio)benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C21H14N4O5S MolecularWeight: 434.42466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O5S/c26-20-16-8-4-5-9-17(16)22-23-24(20)13-30-21(27)14-10-11-19(18(12-14)25(28)29)31-15-6-2-1-3-7-15/h1-12H,13H2