methyl (2S)-2-[[4-(cyclopropylamino)-3-nitro-phenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[4-(cyclopropylamino)-3-nitro-phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[4-(cyclopropylamino)-3-nitrophenyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(cyclopropylamino)-3-nitrobenzoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C20H21N3O5 MolecularWeight: 383.39784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c1-28-20(25)17(11-13-5-3-2-4-6-13)22-19(24)14-7-10-16(21-15-8-9-15)18(12-14)23(26)27/h2-7,10,12,15,17,21H,8-9,11H2,1H3,(H,22,24)/t17-/m0/s1