methyl 3-(3-bromanylthiophen-2-yl)-4-nitro-butanoate

Systemtic Name: methyl 3-(3-bromanylthiophen-2-yl)-4-nitro-butanoate Openeye Name: methyl 3-(3-bromo-2-thienyl)-4-nitro-butanoate CAS Name: 3-(3-bromo-2-thiophenyl)-4-nitrobutanoic acid methyl ester IUPAC Name: methyl 3-(3-bromothiophen-2-yl)-4-nitrobutanoate Traditional Name: 3-(3-bromo-2-thienyl)-4-nitro-butyric acid methyl ester Formula: C9H10BrNO4S MolecularWeight: 308.149

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C[N+](=O)[O-])C1=C(C=CS1)Br

Isomeric SMILES

COC(=O)CC(C[N+](=O)[O-])C1=C(C=CS1)Br

InChI

InChI=1S/C9H10BrNO4S/c1-15-8(12)4-6(5-11(13)14)9-7(10)2-3-16-9/h2-3,6H,4-5H2,1H3