N-(2,6-dimethylphenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(2,6-dimethylphenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(2,6-dimethylphenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(2,6-dimethylphenyl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(2,6-dimethylphenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(2,6-dimethylphenyl)-3-nitro-4-pyrrolidino-benzamide Formula: C19H21N3O3 MolecularWeight: 339.38834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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