N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-nitro-N-[2-(p-tolyl)-1,3-benzoxazol-5-yl]-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-nitro-N-[2-(p-tolyl)-1,3-benzoxazol-5-yl]-4-pyrrolidino-benzamide Formula: C25H22N4O4 MolecularWeight: 442.46658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O4/c1-16-4-6-17(7-5-16)25-27-20-15-19(9-11-23(20)33-25)26-24(30)18-8-10-21(22(14-18)29(31)32)28-12-2-3-13-28/h4-11,14-15H,2-3,12-13H2,1H3,(H,26,30)