(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 5-nitrothiophene-2-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 5-nitrothiophene-2-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C13H8N4O5S MolecularWeight: 332.29142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C13H8N4O5S/c18-12-8-3-1-2-4-9(8)14-15-16(12)7-22-13(19)10-5-6-11(23-10)17(20)21/h1-6H,7H2