N,N'-bis(2-methylphenyl)-2-[(3-nitro-4-piperidin-1-yl-phenyl)methylidene]propanediamide

Systemtic Name: N,N'-bis(2-methylphenyl)-2-[(3-nitro-4-piperidin-1-yl-phenyl)methylidene]propanediamide Openeye Name: 2-[[3-nitro-4-(1-piperidyl)phenyl]methylene]-N,N'-bis(o-tolyl)propanediamide CAS Name: N,N'-bis(2-methylphenyl)-2-[[3-nitro-4-(1-piperidinyl)phenyl]methylidene]propanediamide IUPAC Name: N,N'-bis(2-methylphenyl)-2-[(3-nitro-4-piperidin-1-ylphenyl)methylidene]propanediamide Traditional Name: 2-(3-nitro-4-piperidino-benzylidene)-N,N'-bis(o-tolyl)malonamide Formula: C29H30N4O4 MolecularWeight: 498.5729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(=CC2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(=CC2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4C

InChI

InChI=1S/C29H30N4O4/c1-20-10-4-6-12-24(20)30-28(34)23(29(35)31-25-13-7-5-11-21(25)2)18-22-14-15-26(27(19-22)33(36)37)32-16-8-3-9-17-32/h4-7,10-15,18-19H,3,8-9,16-17H2,1-2H3,(H,30,34)(H,31,35)