[N-(4-nitrophenyl)-C-(4-pyrrolidin-1-ylpyridin-2-yl)carbonimidoyl] 4-phenylbenzoate

Systemtic Name: [N-(4-nitrophenyl)-C-(4-pyrrolidin-1-ylpyridin-2-yl)carbonimidoyl] 4-phenylbenzoate Openeye Name: [N-(4-nitrophenyl)-C-(4-pyrrolidin-1-yl-2-pyridyl)carbonimidoyl] 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [(4-nitrophenyl)imino-[4-(1-pyrrolidinyl)-2-pyridinyl]methyl] ester IUPAC Name: [N-(4-nitrophenyl)-C-(4-pyrrolidin-1-ylpyridin-2-yl)carbonimidoyl] 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [N-(4-nitrophenyl)-C-(4-pyrrolidino-2-pyridyl)carbonimidoyl] ester Formula: C29H24N4O4 MolecularWeight: 492.52526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC=C2)C(=NC3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=CC(=NC=C2)C(=NC3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H24N4O4/c34-29(23-10-8-22(9-11-23)21-6-2-1-3-7-21)37-28(31-24-12-14-25(15-13-24)33(35)36)27-20-26(16-17-30-27)32-18-4-5-19-32/h1-3,6-17,20H,4-5,18-19H2