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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-nitro-2-pyrrolidino-N-veratryl-benzamide Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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