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

Systemtic Name: N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-3-nitro-4-pyrrolidino-benzamide Formula: C28H28N4O4 MolecularWeight: 484.54632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C1=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/C28H28N4O4/c1-28(2,3)20-9-6-18(7-10-20)27-30-22-17-21(11-13-25(22)36-27)29-26(33)19-8-12-23(24(16-19)32(34)35)31-14-4-5-15-31/h6-13,16-17H,4-5,14-15H2,1-3H3,(H,29,33)