methyl 4-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-2,3-dihydrothiophene-5-carboxylate

Systemtic Name: methyl 4-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-2,3-dihydrothiophene-5-carboxylate Openeye Name: methyl 4-[(2-chloro-5-nitro-benzoyl)amino]-2,3-dihydrothiophene-5-carboxylate CAS Name: 4-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]-2,3-dihydrothiophene-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[(2-chloro-5-nitrobenzoyl)amino]-2,3-dihydrothiophene-5-carboxylate Traditional Name: 4-[(2-chloro-5-nitro-benzoyl)amino]-2,3-dihydrothiophene-5-carboxylic acid methyl ester Formula: C13H11ClN2O5S MolecularWeight: 342.75484

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CCS1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)C1=C(CCS1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H11ClN2O5S/c1-21-13(18)11-10(4-5-22-11)15-12(17)8-6-7(16(19)20)2-3-9(8)14/h2-3,6H,4-5H2,1H3,(H,15,17)