methyl 3-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)amino]-3-phenyl-propanoate CAS Name: 3-[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]-3-phenylpropanoate Traditional Name: 3-[(3-nitro-4-pyrrolidino-benzoyl)amino]-3-phenyl-propionic acid methyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c1-29-20(25)14-17(15-7-3-2-4-8-15)22-21(26)16-9-10-18(19(13-16)24(27)28)23-11-5-6-12-23/h2-4,7-10,13,17H,5-6,11-12,14H2,1H3,(H,22,26)