N-[(4-methylphenyl)methyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[(4-methylphenyl)methyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: 2-morpholino-5-nitro-N-(p-tolylmethyl)benzamide CAS Name: N-[(4-methylphenyl)methyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-(4-methylbenzyl)-2-morpholino-5-nitro-benzamide Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C19H21N3O4/c1-14-2-4-15(5-3-14)13-20-19(23)17-12-16(22(24)25)6-7-18(17)21-8-10-26-11-9-21/h2-7,12H,8-11,13H2,1H3,(H,20,23)