2-chloranyl-N-[4-(dimethylamino)-3-pyrrolidin-1-ylcarbonyl-phenyl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[4-(dimethylamino)-3-pyrrolidin-1-ylcarbonyl-phenyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[4-(dimethylamino)-3-[oxo(1-pyrrolidinyl)methyl]phenyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]-4-nitro-benzamide Formula: C20H21ClN4O4 MolecularWeight: 416.85814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)N3CCCC3

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)N3CCCC3

InChI

InChI=1S/C20H21ClN4O4/c1-23(2)18-8-5-13(11-16(18)20(27)24-9-3-4-10-24)22-19(26)15-7-6-14(25(28)29)12-17(15)21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,26)