(2S)-2-(aminocarbonylamino)-N-[2-[(2-nitrophenyl)amino]ethyl]-3-phenyl-propanamide

Systemtic Name: (2S)-2-(aminocarbonylamino)-N-[2-[(2-nitrophenyl)amino]ethyl]-3-phenyl-propanamide Openeye Name: (2S)-N-[2-(2-nitroanilino)ethyl]-3-phenyl-2-ureido-propanamide CAS Name: (2S)-2-(carbamoylamino)-N-[2-(2-nitroanilino)ethyl]-3-phenylpropanamide IUPAC Name: (2S)-2-(carbamoylamino)-N-[2-(2-nitroanilino)ethyl]-3-phenylpropanamide Traditional Name: (2S)-N-[2-(2-nitroanilino)ethyl]-3-phenyl-2-ureido-propionamide Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCCNC2=CC=CC=C2[N+](=O)[O-])NC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NCCNC2=CC=CC=C2[N+](=O)[O-])NC(=O)N

InChI

InChI=1S/C18H21N5O4/c19-18(25)22-15(12-13-6-2-1-3-7-13)17(24)21-11-10-20-14-8-4-5-9-16(14)23(26)27/h1-9,15,20H,10-12H2,(H,21,24)(H3,19,22,25)/t15-/m0/s1