methyl 4-nitro-3-thiophen-3-yl-butanoate

Systemtic Name: methyl 4-nitro-3-thiophen-3-yl-butanoate Openeye Name: methyl 4-nitro-3-(3-thienyl)butanoate CAS Name: 4-nitro-3-(3-thiophenyl)butanoic acid methyl ester IUPAC Name: methyl 4-nitro-3-thiophen-3-ylbutanoate Traditional Name: 4-nitro-3-(3-thienyl)butyric acid methyl ester Formula: C9H11NO4S MolecularWeight: 229.25294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO4S/c1-14-9(11)4-8(5-10(12)13)7-2-3-15-6-7/h2-3,6,8H,4-5H2,1H3