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

Systemtic Name: N-(3,4-dimethylphenyl)-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-(3,4-dimethylphenyl)-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-(3,4-dimethylphenyl)-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-(3,4-dimethylphenyl)-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-(3,4-dimethylphenyl)-5-nitro-2-pyrrolidino-benzamide Formula: C19H21N3O3 MolecularWeight: 339.38834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3/c1-13-5-6-15(11-14(13)2)20-19(23)17-12-16(22(24)25)7-8-18(17)21-9-3-4-10-21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,20,23)