[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: (1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)methyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid (1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)methyl ester IUPAC Name: (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid (2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)methyl ester Formula: C16H13N3O6S MolecularWeight: 375.35592

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O6S/c1-17-11(7-14(20)18(2)16(17)22)8-25-15(21)13-6-9-5-10(19(23)24)3-4-12(9)26-13/h3-7H,8H2,1-2H3