4-chloranyl-N-[4-(dimethylamino)-3-(pyridin-3-ylmethylcarbamoyl)phenyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[4-(dimethylamino)-3-(pyridin-3-ylmethylcarbamoyl)phenyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[4-(dimethylamino)-3-(3-pyridylmethylcarbamoyl)phenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[4-(dimethylamino)-3-[oxo-(3-pyridinylmethylamino)methyl]phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[4-(dimethylamino)-3-(pyridin-3-ylmethylcarbamoyl)phenyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[4-(dimethylamino)-3-(3-pyridylmethylcarbamoyl)phenyl]-3-nitro-benzamide Formula: C22H20ClN5O4 MolecularWeight: 453.8783

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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)NCC3=CN=CC=C3

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C22H20ClN5O4/c1-27(2)19-8-6-16(11-17(19)22(30)25-13-14-4-3-9-24-12-14)26-21(29)15-5-7-18(23)20(10-15)28(31)32/h3-12H,13H2,1-2H3,(H,25,30)(H,26,29)