2-[2-chloroethylcarbamoyl(nitroso)amino]ethyl 1-methyl-4H-pyridine-3-carboxylate

Systemtic Name: 2-[2-chloroethylcarbamoyl(nitroso)amino]ethyl 1-methyl-4H-pyridine-3-carboxylate Openeye Name: 2-[2-chloroethylcarbamoyl(nitroso)amino]ethyl 1-methyl-4H-pyridine-3-carboxylate CAS Name: 1-methyl-4H-pyridine-3-carboxylic acid 2-[[(2-chloroethylamino)-oxomethyl]-nitrosoamino]ethyl ester IUPAC Name: 2-[2-chloroethylcarbamoyl(nitroso)amino]ethyl 1-methyl-4H-pyridine-3-carboxylate Traditional Name: 1-methyl-4H-pyridine-3-carboxylic acid 2-[2-chloroethylcarbamoyl(nitroso)amino]ethyl ester Formula: C12H17ClN4O4 MolecularWeight: 316.74078

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CCC(=C1)C(=O)OCCN(C(=O)NCCCl)N=O

Isomeric SMILES

CN1C=CCC(=C1)C(=O)OCCN(C(=O)NCCCl)N=O

InChI

InChI=1S/C12H17ClN4O4/c1-16-6-2-3-10(9-16)11(18)21-8-7-17(15-20)12(19)14-5-4-13/h2,6,9H,3-5,7-8H2,1H3,(H,14,19)