methyl 3-[3-[2,4-bis(oxidanylidene)pyrimidin-1-yl]propoxy]-5-nitro-thiophene-2-carboxylate

Systemtic Name: methyl 3-[3-[2,4-bis(oxidanylidene)pyrimidin-1-yl]propoxy]-5-nitro-thiophene-2-carboxylate Openeye Name: methyl 3-[3-(2,4-dioxopyrimidin-1-yl)propoxy]-5-nitro-thiophene-2-carboxylate CAS Name: 3-[3-(2,4-dioxo-1-pyrimidinyl)propoxy]-5-nitro-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-(2,4-dioxopyrimidin-1-yl)propoxy]-5-nitrothiophene-2-carboxylate Traditional Name: 3-[3-(2,4-diketopyrimidin-1-yl)propoxy]-5-nitro-thiophene-2-carboxylic acid methyl ester Formula: C13H13N3O7S MolecularWeight: 355.32322

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(S1)[N+](=O)[O-])OCCCN2C=CC(=O)NC2=O

Isomeric SMILES

COC(=O)C1=C(C=C(S1)[N+](=O)[O-])OCCCN2C=CC(=O)NC2=O

InChI

InChI=1S/C13H13N3O7S/c1-22-12(18)11-8(7-10(24-11)16(20)21)23-6-2-4-15-5-3-9(17)14-13(15)19/h3,5,7H,2,4,6H2,1H3,(H,14,17,19)