4-(3-chloranylpropylamino)but-2-ynyl N-(3-chlorophenyl)carbamate; ethanedioate

Systemtic Name: 4-(3-chloranylpropylamino)but-2-ynyl N-(3-chlorophenyl)carbamate; ethanedioate Openeye Name: 4-(3-chloropropylamino)but-2-ynyl N-(3-chlorophenyl)carbamate; oxalate CAS Name: N-(3-chlorophenyl)carbamic acid 4-(3-chloropropylamino)but-2-ynyl ester; oxalate IUPAC Name: 4-(3-chloropropylamino)but-2-ynyl N-(3-chlorophenyl)carbamate; oxalate Traditional Name: N-(3-chlorophenyl)carbamic acid 4-(3-chloropropylamino)but-2-ynyl ester; oxalate Formula: C16H16Cl2N2O6-2 MolecularWeight: 403.21404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)NC(=O)OCC#CCNCCCCl.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Cl)NC(=O)OCC#CCNCCCCl.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C14H16Cl2N2O2.C2H2O4/c15-7-4-9-17-8-1-2-10-20-14(19)18-13-6-3-5-12(16)11-13;3-1(4)2(5)6/h3,5-6,11,17H,4,7-10H2,(H,18,19);(H,3,4)(H,5,6)/p-2