(phenylmethyl) (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-oxidanyl-propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-oxidanyl-propanoate Openeye Name: benzyl (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]-3-hydroxypropanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxy-propionic acid benzyl ester Formula: C13H16ClN3O5 MolecularWeight: 329.73624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CO)NC(=O)N(CCCl)N=O

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN3O5/c14-6-7-17(16-21)13(20)15-11(8-18)12(19)22-9-10-4-2-1-3-5-10/h1-5,11,18H,6-9H2,(H,15,20)/t11-/m0/s1