methyl 5-(3-nitrothiophen-2-yl)-[1,3]dioxolo[4,5-d]pyrimidine-7-carboxylate

Systemtic Name: methyl 5-(3-nitrothiophen-2-yl)-[1,3]dioxolo[4,5-d]pyrimidine-7-carboxylate Openeye Name: methyl 5-(3-nitro-2-thienyl)-[1,3]dioxolo[4,5-d]pyrimidine-7-carboxylate CAS Name: 5-(3-nitro-2-thiophenyl)-[1,3]dioxolo[4,5-d]pyrimidine-7-carboxylic acid methyl ester IUPAC Name: methyl 5-(3-nitrothiophen-2-yl)-[1,3]dioxolo[4,5-d]pyrimidine-7-carboxylate Traditional Name: 5-(3-nitro-2-thienyl)-[1,3]dioxolo[4,5-d]pyrimidine-7-carboxylic acid methyl ester Formula: C11H7N3O6S MolecularWeight: 309.25478

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=NC(=N1)C3=C(C=CS3)[N+](=O)[O-])OCO2

Isomeric SMILES

COC(=O)C1=C2C(=NC(=N1)C3=C(C=CS3)[N+](=O)[O-])OCO2

InChI

InChI=1S/C11H7N3O6S/c1-18-11(15)6-7-10(20-4-19-7)13-9(12-6)8-5(14(16)17)2-3-21-8/h2-3H,4H2,1H3