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

Systemtic Name: N-(3,4-diethoxyphenyl)-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-(3,4-diethoxyphenyl)-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-(3,4-diethoxyphenyl)-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-(3,4-diethoxyphenyl)-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-(3,4-diethoxyphenyl)-5-nitro-2-pyrrolidino-benzamide Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c1-3-28-19-10-7-15(13-20(19)29-4-2)22-21(25)17-14-16(24(26)27)8-9-18(17)23-11-5-6-12-23/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,22,25)