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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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