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

Systemtic Name: methyl 4-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-2,3-dihydrothiophene-5-carboxylate Openeye Name: methyl 4-[(4-chloro-3-nitro-benzoyl)amino]-2,3-dihydrothiophene-5-carboxylate CAS Name: 4-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-2,3-dihydrothiophene-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[(4-chloro-3-nitrobenzoyl)amino]-2,3-dihydrothiophene-5-carboxylate Traditional Name: 4-[(4-chloro-3-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=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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