2-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]-N-(4-nitrophenyl)pyrrolidine-1-carboxamide

Systemtic Name: 2-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]-N-(4-nitrophenyl)pyrrolidine-1-carboxamide Openeye Name: N-(4-nitrophenyl)-2-[5-(o-tolyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide CAS Name: 2-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]-N-(4-nitrophenyl)-1-pyrrolidinecarboxamide IUPAC Name: 2-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]-N-(4-nitrophenyl)pyrrolidine-1-carboxamide Traditional Name: N-(4-nitrophenyl)-2-[5-(o-tolyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide Formula: C25H22N4O4 MolecularWeight: 442.46658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC3=C(C=C2)OC(=N3)C4CCCN4C(=O)NC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=CC3=C(C=C2)OC(=N3)C4CCCN4C(=O)NC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O4/c1-16-5-2-3-6-20(16)17-8-13-23-21(15-17)27-24(33-23)22-7-4-14-28(22)25(30)26-18-9-11-19(12-10-18)29(31)32/h2-3,5-6,8-13,15,22H,4,7,14H2,1H3,(H,26,30)