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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-3-nitro-4-pyrrolidino-benzamide Formula: C26H24N4O6 MolecularWeight: 488.49196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-])OC

InChI

InChI=1S/C26H24N4O6/c1-34-23-9-6-17(14-24(23)35-2)26-28-19-15-18(7-10-22(19)36-26)27-25(31)16-5-8-20(21(13-16)30(32)33)29-11-3-4-12-29/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,27,31)