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

Systemtic Name: N-[(3,5-dimethoxyphenyl)methyl]-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[(3,5-dimethoxyphenyl)methyl]-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-[(3,5-dimethoxyphenyl)methyl]-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(3,5-dimethoxyphenyl)methyl]-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-(3,5-dimethoxybenzyl)-5-nitro-2-pyrrolidino-benzamide Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3)OC

InChI

InChI=1S/C20H23N3O5/c1-27-16-9-14(10-17(12-16)28-2)13-21-20(24)18-11-15(23(25)26)5-6-19(18)22-7-3-4-8-22/h5-6,9-12H,3-4,7-8,13H2,1-2H3,(H,21,24)