3-(1,3-benzodioxol-5-yl)-N-[1-[(3-methoxy-2-nitro-phenyl)methyl]pyrrolidin-3-yl]propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[1-[(3-methoxy-2-nitro-phenyl)methyl]pyrrolidin-3-yl]propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[1-[(3-methoxy-2-nitro-phenyl)methyl]pyrrolidin-3-yl]propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[1-[(3-methoxy-2-nitrophenyl)methyl]-3-pyrrolidinyl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[1-[(3-methoxy-2-nitrophenyl)methyl]pyrrolidin-3-yl]propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[1-(3-methoxy-2-nitro-benzyl)pyrrolidin-3-yl]propionamide Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1[N+](=O)[O-])CN2CCC(C2)NC(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC(=C1[N+](=O)[O-])CN2CCC(C2)NC(=O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H25N3O6/c1-29-19-4-2-3-16(22(19)25(27)28)12-24-10-9-17(13-24)23-21(26)8-6-15-5-7-18-20(11-15)31-14-30-18/h2-5,7,11,17H,6,8-10,12-14H2,1H3,(H,23,26)