(2S)-2-acetamido-N-[2-[(4-chlorophenyl)-nitroso-amino]ethyl]-3-phenyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-[2-[(4-chlorophenyl)-nitroso-amino]ethyl]-3-phenyl-propanamide Openeye Name: (2S)-2-acetamido-N-[2-(4-chloro-N-nitroso-anilino)ethyl]-3-phenyl-propanamide CAS Name: (2S)-2-acetamido-N-[2-(4-chloro-N-nitrosoanilino)ethyl]-3-phenylpropanamide IUPAC Name: (2S)-2-acetamido-N-[2-(4-chloro-N-nitrosoanilino)ethyl]-3-phenylpropanamide Traditional Name: (2S)-2-acetamido-N-[2-(4-chloro-N-nitroso-anilino)ethyl]-3-phenyl-propionamide Formula: C19H21ClN4O3 MolecularWeight: 388.84804

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC=C1)C(=O)NCCN(C2=CC=C(C=C2)Cl)N=O

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCN(C2=CC=C(C=C2)Cl)N=O

InChI

InChI=1S/C19H21ClN4O3/c1-14(25)22-18(13-15-5-3-2-4-6-15)19(26)21-11-12-24(23-27)17-9-7-16(20)8-10-17/h2-10,18H,11-13H2,1H3,(H,21,26)(H,22,25)/t18-/m0/s1