ethyl 2-[(5-chloranyl-2-nitro-phenyl)carbonylamino]-5-propyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(5-chloranyl-2-nitro-phenyl)carbonylamino]-5-propyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(5-chloro-2-nitro-benzoyl)amino]-5-propyl-thiophene-3-carboxylate CAS Name: 2-[[(5-chloro-2-nitrophenyl)-oxomethyl]amino]-5-propyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-chloro-2-nitrobenzoyl)amino]-5-propylthiophene-3-carboxylate Traditional Name: 2-[(5-chloro-2-nitro-benzoyl)amino]-5-propyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H17ClN2O5S MolecularWeight: 396.84528

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(S1)NC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCC1=CC(=C(S1)NC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C17H17ClN2O5S/c1-3-5-11-9-13(17(22)25-4-2)16(26-11)19-15(21)12-8-10(18)6-7-14(12)20(23)24/h6-9H,3-5H2,1-2H3,(H,19,21)