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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-nitro-4-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=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

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