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

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-5-nitro-2-pyrrolidino-benzamide Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3)OCC

InChI

InChI=1S/C23H29N3O5/c1-3-30-21-10-7-17(15-22(21)31-4-2)11-12-24-23(27)19-16-18(26(28)29)8-9-20(19)25-13-5-6-14-25/h7-10,15-16H,3-6,11-14H2,1-2H3,(H,24,27)