[2-(5-ethylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-chloranyl-4-nitro-benzoate

Systemtic Name: [2-(5-ethylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-chloranyl-4-nitro-benzoate Openeye Name: [2-(5-ethyl-2-thienyl)-2-oxo-ethyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [2-(5-ethyl-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-ethylthiophen-2-yl)-2-oxoethyl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [2-(5-ethyl-2-thienyl)-2-keto-ethyl] ester Formula: C15H12ClNO5S MolecularWeight: 353.77748

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCC1=CC=C(S1)C(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H12ClNO5S/c1-2-10-4-6-14(23-10)13(18)8-22-15(19)11-5-3-9(17(20)21)7-12(11)16/h3-7H,2,8H2,1H3