N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-nitro-4-prop-2-enoxy-benzamide

Systemtic Name: N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-nitro-4-prop-2-enoxy-benzamide Openeye Name: 4-allyloxy-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-nitro-benzamide CAS Name: N-[3-methoxy-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-2-nitro-4-prop-2-enoxybenzamide IUPAC Name: N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-nitro-4-prop-2-enoxybenzamide Traditional Name: 4-allyloxy-N-[3-methoxy-4-(2-pyrrolidinoethoxy)phenyl]-2-nitro-benzamide Formula: C23H27N3O6 MolecularWeight: 441.47698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)C2=C(C=C(C=C2)OCC=C)[N+](=O)[O-])OCCN3CCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)C2=C(C=C(C=C2)OCC=C)[N+](=O)[O-])OCCN3CCCC3

InChI

InChI=1S/C23H27N3O6/c1-3-13-31-18-7-8-19(20(16-18)26(28)29)23(27)24-17-6-9-21(22(15-17)30-2)32-14-12-25-10-4-5-11-25/h3,6-9,15-16H,1,4-5,10-14H2,2H3,(H,24,27)