N-(2-bromoethyl)-N-methyl-but-2-yn-1-amine; N-(3-chlorophenyl)carbamate; ethanedioate

Systemtic Name: N-(2-bromoethyl)-N-methyl-but-2-yn-1-amine; N-(3-chlorophenyl)carbamate; ethanedioate Openeye Name: N-(2-bromoethyl)-N-methyl-but-2-yn-1-amine; N-(3-chlorophenyl)carbamate; oxalate CAS Name: N-(2-bromoethyl)-N-methyl-2-butyn-1-amine; N-(3-chlorophenyl)carbamate; oxalate IUPAC Name: N-(2-bromoethyl)-N-methylbut-2-yn-1-amine; N-(3-chlorophenyl)carbamate; oxalate Traditional Name: 2-bromoethyl-but-2-ynyl-methyl-amine; N-(3-chlorophenyl)carbamate; oxalate Formula: C16H16BrClN2O6-3 MolecularWeight: 447.66504

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCBr)CC#C[CH2].C1=CC(=CC(=C1)Cl)NC(=O)[O-].C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CN(CCBr)CC#C[CH2].C1=CC(=CC(=C1)Cl)NC(=O)[O-].C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C7H11BrN.C7H6ClNO2.C2H2O4/c1-3-4-6-9(2)7-5-8;8-5-2-1-3-6(4-5)9-7(10)11;3-1(4)2(5)6/h1,5-7H2,2H3;1-4,9H,(H,10,11);(H,3,4)(H,5,6)/p-3