4-(dimethylamino)-N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-3-nitro-benzamide

Systemtic Name: 4-(dimethylamino)-N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-3-nitro-benzamide Openeye Name: 4-(dimethylamino)-N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-3-nitro-benzamide CAS Name: 4-(dimethylamino)-N-[3-methyl-4-(1-pyrrolidinyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-(dimethylamino)-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-3-nitrobenzamide Traditional Name: 4-(dimethylamino)-N-(3-methyl-4-pyrrolidino-phenyl)-3-nitro-benzamide Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O3/c1-14-12-16(7-9-17(14)23-10-4-5-11-23)21-20(25)15-6-8-18(22(2)3)19(13-15)24(26)27/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,21,25)