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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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