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

Systemtic Name: 2-azanyl-2-[(3-cyanophenyl)-[4-(4-nitrophenyl)butyl]amino]ethanoic acid Openeye Name: 2-amino-2-[3-cyano-N-[4-(4-nitrophenyl)butyl]anilino]acetic acid CAS Name: 2-amino-2-[3-cyano-N-[4-(4-nitrophenyl)butyl]anilino]acetic acid IUPAC Name: 2-amino-2-[3-cyano-N-[4-(4-nitrophenyl)butyl]anilino]acetic acid Traditional Name: 2-amino-2-[3-cyano-N-[4-(4-nitrophenyl)butyl]anilino]acetic acid Formula: C19H20N4O4 MolecularWeight: 368.3865

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N(CCCCC2=CC=C(C=C2)[N+](=O)[O-])C(C(=O)O)N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)N(CCCCC2=CC=C(C=C2)[N+](=O)[O-])C(C(=O)O)N)C#N

InChI

InChI=1S/C19H20N4O4/c20-13-15-5-3-6-17(12-15)22(18(21)19(24)25)11-2-1-4-14-7-9-16(10-8-14)23(26)27/h3,5-10,12,18H,1-2,4,11,21H2,(H,24,25)