(phenylmethyl) (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate Openeye Name: benzyl (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate CAS Name: (2S)-2-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate Traditional Name: (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propionic acid benzyl ester Formula: C13H16ClN3O4 MolecularWeight: 313.73684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)NC(=O)N(CCCl)N=O

Isomeric SMILES

C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)N(CCCl)N=O

InChI

InChI=1S/C13H16ClN3O4/c1-10(15-13(19)17(16-20)8-7-14)12(18)21-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,15,19)/t10-/m0/s1