2-(dimethylamino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitro-benzamide

Systemtic Name: 2-(dimethylamino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitro-benzamide Openeye Name: 2-(dimethylamino)-N-[[4-(morpholinomethyl)phenyl]methyl]-5-nitro-benzamide CAS Name: 2-(dimethylamino)-N-[[4-(4-morpholinylmethyl)phenyl]methyl]-5-nitrobenzamide IUPAC Name: 2-(dimethylamino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide Traditional Name: 2-(dimethylamino)-N-[4-(morpholinomethyl)benzyl]-5-nitro-benzamide Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CC=C(C=C2)CN3CCOCC3

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CC=C(C=C2)CN3CCOCC3

InChI

InChI=1S/C21H26N4O4/c1-23(2)20-8-7-18(25(27)28)13-19(20)21(26)22-14-16-3-5-17(6-4-16)15-24-9-11-29-12-10-24/h3-8,13H,9-12,14-15H2,1-2H3,(H,22,26)