[4-(4-cyanophenyl)phenyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [4-(4-cyanophenyl)phenyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [4-(4-cyanophenyl)phenyl] ester Formula: C24H19N3O4 MolecularWeight: 413.42536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C24H19N3O4/c25-16-17-3-5-18(6-4-17)19-7-10-21(11-8-19)31-24(28)20-9-12-22(23(15-20)27(29)30)26-13-1-2-14-26/h3-12,15H,1-2,13-14H2