[2-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [2-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-(4-nitrophenyl)methanone Openeye Name: (4-nitrophenyl)-[2-[5-(o-tolyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone CAS Name: [2-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]-1-pyrrolidinyl]-(4-nitrophenyl)methanone IUPAC Name: [2-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-(4-nitrophenyl)methanone Traditional Name: (4-nitrophenyl)-[2-[5-(o-tolyl)-1,3-benzoxazol-2-yl]pyrrolidino]methanone Formula: C25H21N3O4 MolecularWeight: 427.45194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC3=C(C=C2)OC(=N3)C4CCCN4C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=CC3=C(C=C2)OC(=N3)C4CCCN4C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H21N3O4/c1-16-5-2-3-6-20(16)18-10-13-23-21(15-18)26-24(32-23)22-7-4-14-27(22)25(29)17-8-11-19(12-9-17)28(30)31/h2-3,5-6,8-13,15,22H,4,7,14H2,1H3