[2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C17H10ClNO5S MolecularWeight: 375.783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H10ClNO5S/c18-12-3-1-10(2-4-12)14(20)9-24-17(21)16-8-11-7-13(19(22)23)5-6-15(11)25-16/h1-8H,9H2