methyl 4-(5-chloranyl-4-nitro-thiophen-2-yl)-3-methyl-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-(5-chloranyl-4-nitro-thiophen-2-yl)-3-methyl-4-oxidanylidene-butanoate Openeye Name: methyl 4-(5-chloro-4-nitro-2-thienyl)-3-methyl-4-oxo-butanoate CAS Name: 4-(5-chloro-4-nitro-2-thiophenyl)-3-methyl-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(5-chloro-4-nitrothiophen-2-yl)-3-methyl-4-oxobutanoate Traditional Name: 4-(5-chloro-4-nitro-2-thienyl)-4-keto-3-methyl-butyric acid methyl ester Formula: C10H10ClNO5S MolecularWeight: 291.7081

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)C(=O)C1=CC(=C(S1)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(CC(=O)OC)C(=O)C1=CC(=C(S1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C10H10ClNO5S/c1-5(3-8(13)17-2)9(14)7-4-6(12(15)16)10(11)18-7/h4-5H,3H2,1-2H3