ethyl 3-[2-[(3-nitrophenyl)carbonylamino]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 3-[2-[(3-nitrophenyl)carbonylamino]ethanoylamino]-3-phenyl-propanoate Openeye Name: ethyl 3-[[2-[(3-nitrobenzoyl)amino]acetyl]amino]-3-phenyl-propanoate CAS Name: 3-[[2-[[(3-nitrophenyl)-oxomethyl]amino]-1-oxoethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(3-nitrobenzoyl)amino]acetyl]amino]-3-phenylpropanoate Traditional Name: 3-[[2-[(3-nitrobenzoyl)amino]acetyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C20H21N3O6 MolecularWeight: 399.39724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC=C1)NC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC=C1)NC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6/c1-2-29-19(25)12-17(14-7-4-3-5-8-14)22-18(24)13-21-20(26)15-9-6-10-16(11-15)23(27)28/h3-11,17H,2,12-13H2,1H3,(H,21,26)(H,22,24)