ethyl 3-(5-chloranyl-1-benzothiophen-2-yl)-4-nitro-butanoate

Systemtic Name: ethyl 3-(5-chloranyl-1-benzothiophen-2-yl)-4-nitro-butanoate Openeye Name: ethyl 3-(5-chlorobenzothiophen-2-yl)-4-nitro-butanoate CAS Name: 3-(5-chloro-1-benzothiophen-2-yl)-4-nitrobutanoic acid ethyl ester IUPAC Name: ethyl 3-(5-chloro-1-benzothiophen-2-yl)-4-nitrobutanoate Traditional Name: 3-(5-chlorobenzothiophen-2-yl)-4-nitro-butyric acid ethyl ester Formula: C14H14ClNO4S MolecularWeight: 327.78326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C[N+](=O)[O-])C1=CC2=C(S1)C=CC(=C2)Cl

Isomeric SMILES

CCOC(=O)CC(C[N+](=O)[O-])C1=CC2=C(S1)C=CC(=C2)Cl

InChI

InChI=1S/C14H14ClNO4S/c1-2-20-14(17)7-10(8-16(18)19)13-6-9-5-11(15)3-4-12(9)21-13/h3-6,10H,2,7-8H2,1H3