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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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