N-(4-methylphenyl)-4-(3-morpholin-4-ylpropylamino)-3-nitro-benzamide

Systemtic Name: N-(4-methylphenyl)-4-(3-morpholin-4-ylpropylamino)-3-nitro-benzamide Openeye Name: 4-(3-morpholinopropylamino)-3-nitro-N-(p-tolyl)benzamide CAS Name: N-(4-methylphenyl)-4-[3-(4-morpholinyl)propylamino]-3-nitrobenzamide IUPAC Name: N-(4-methylphenyl)-4-(3-morpholin-4-ylpropylamino)-3-nitrobenzamide Traditional Name: 4-(3-morpholinopropylamino)-3-nitro-N-(p-tolyl)benzamide Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)NCCCN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)NCCCN3CCOCC3)[N+](=O)[O-]

InChI

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