2-azanyl-2-[(3-cyanophenyl)-[4-(4-nitrophenyl)butyl]amino]propanoic acid

Systemtic Name: 2-azanyl-2-[(3-cyanophenyl)-[4-(4-nitrophenyl)butyl]amino]propanoic acid Openeye Name: 2-amino-2-[3-cyano-N-[4-(4-nitrophenyl)butyl]anilino]propanoic acid CAS Name: 2-amino-2-[3-cyano-N-[4-(4-nitrophenyl)butyl]anilino]propanoic acid IUPAC Name: 2-amino-2-[3-cyano-N-[4-(4-nitrophenyl)butyl]anilino]propanoic acid Traditional Name: 2-amino-2-[3-cyano-N-[4-(4-nitrophenyl)butyl]anilino]propionic acid Formula: C20H22N4O4 MolecularWeight: 382.41308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)(N)N(CCCCC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC(=C2)C#N

Isomeric SMILES

CC(C(=O)O)(N)N(CCCCC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC(=C2)C#N

InChI

InChI=1S/C20H22N4O4/c1-20(22,19(25)26)23(18-7-4-6-16(13-18)14-21)12-3-2-5-15-8-10-17(11-9-15)24(27)28/h4,6-11,13H,2-3,5,12,22H2,1H3,(H,25,26)