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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-homoveratryl-3-nitro-4-pyrrolidino-benzamide Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c1-28-19-8-5-15(13-20(19)29-2)9-10-22-21(25)16-6-7-17(18(14-16)24(26)27)23-11-3-4-12-23/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,22,25)