N-(3-ethynylphenyl)-5-nitro-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(3-ethynylphenyl)-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-(3-ethynylphenyl)-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-(3-ethynylphenyl)-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-(3-ethynylphenyl)-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-(3-ethynylphenyl)-5-nitro-2-pyrrolidino-benzamide Formula: C19H17N3O3 MolecularWeight: 335.35658

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C19H17N3O3/c1-2-14-6-5-7-15(12-14)20-19(23)17-13-16(22(24)25)8-9-18(17)21-10-3-4-11-21/h1,5-9,12-13H,3-4,10-11H2,(H,20,23)