2-[[2-chloroethyl(nitroso)carbamoyl]amino]ethyl 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: 2-[[2-chloroethyl(nitroso)carbamoyl]amino]ethyl 1-methylpyridin-1-ium-3-carboxylate Openeye Name: 2-[[2-chloroethyl(nitroso)carbamoyl]amino]ethyl 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 2-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]ethyl ester IUPAC Name: 2-[[2-chloroethyl(nitroso)carbamoyl]amino]ethyl 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 2-[[2-chloroethyl(nitroso)carbamoyl]amino]ethyl ester Formula: C12H16ClN4O4+ MolecularWeight: 315.73284

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCNC(=O)N(CCCl)N=O

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCNC(=O)N(CCCl)N=O

InChI

InChI=1S/C12H15ClN4O4/c1-16-6-2-3-10(9-16)11(18)21-8-5-14-12(19)17(15-20)7-4-13/h2-3,6,9H,4-5,7-8H2,1H3/p+1