methyl 5-(2,2-dimethylpropanoyloxy)-2-(3-nitrothiophen-2-yl)-6-oxidanylidene-1-prop-2-enyl-pyrimidine-4-carboxylate

Systemtic Name: methyl 5-(2,2-dimethylpropanoyloxy)-2-(3-nitrothiophen-2-yl)-6-oxidanylidene-1-prop-2-enyl-pyrimidine-4-carboxylate Openeye Name: methyl 1-allyl-5-(2,2-dimethylpropanoyloxy)-2-(3-nitro-2-thienyl)-6-oxo-pyrimidine-4-carboxylate CAS Name: 5-(2,2-dimethyl-1-oxopropoxy)-2-(3-nitro-2-thiophenyl)-6-oxo-1-prop-2-enyl-4-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 5-(2,2-dimethylpropanoyloxy)-2-(3-nitrothiophen-2-yl)-6-oxo-1-prop-2-enylpyrimidine-4-carboxylate Traditional Name: 1-allyl-6-keto-2-(3-nitro-2-thienyl)-5-pivaloyloxy-pyrimidine-4-carboxylic acid methyl ester Formula: C18H19N3O7S MolecularWeight: 421.42436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=C(N=C(N(C1=O)CC=C)C2=C(C=CS2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)(C)C(=O)OC1=C(N=C(N(C1=O)CC=C)C2=C(C=CS2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H19N3O7S/c1-6-8-20-14(13-10(21(25)26)7-9-29-13)19-11(16(23)27-5)12(15(20)22)28-17(24)18(2,3)4/h6-7,9H,1,8H2,2-5H3