ethyl 2-diazenyl-5-nitro-thiophene-3-carboxylate; methane; methyl 2-cyano-2-phenyl-ethanoate; methyl propanoate

Systemtic Name: ethyl 2-diazenyl-5-nitro-thiophene-3-carboxylate; methane; methyl 2-cyano-2-phenyl-ethanoate; methyl propanoate Openeye Name: ethyl 2-diazenyl-5-nitro-thiophene-3-carboxylate; methane; methyl 2-cyano-2-phenyl-acetate; methyl propanoate CAS Name: 2-cyano-2-phenylacetic acid methyl ester; 2-diazenyl-5-nitro-3-thiophenecarboxylic acid ethyl ester; methane; propanoic acid methyl ester IUPAC Name: ethyl 2-diazenyl-5-nitrothiophene-3-carboxylate; methane; methyl 2-cyano-2-phenylacetate; methyl propanoate Traditional Name: 2-cyano-2-phenyl-acetic acid methyl ester; 2-diazenyl-5-nitro-thiophene-3-carboxylic acid ethyl ester; methane; propionic acid methyl ester Formula: C22H28N4O8S MolecularWeight: 508.54472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C.CCC(=O)OC.CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])N=N.COC(=O)C(C#N)C1=CC=CC=C1

Isomeric SMILES

C.CCC(=O)OC.CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])N=N.COC(=O)C(C#N)C1=CC=CC=C1

InChI

InChI=1S/C10H9NO2.C7H7N3O4S.C4H8O2.CH4/c1-13-10(12)9(7-11)8-5-3-2-4-6-8;1-2-14-7(11)4-3-5(10(12)13)15-6(4)9-8;1-3-4(5)6-2;/h2-6,9H,1H3;3,8H,2H2,1H3;3H2,1-2H3;1H4