N-[2-cyano-4-[[3-cyano-4-[(4-nitrophenyl)carbonylamino]phenyl]methyl]phenyl]-4-nitro-benzamide

Systemtic Name: N-[2-cyano-4-[[3-cyano-4-[(4-nitrophenyl)carbonylamino]phenyl]methyl]phenyl]-4-nitro-benzamide Openeye Name: N-[2-cyano-4-[[3-cyano-4-[(4-nitrobenzoyl)amino]phenyl]methyl]phenyl]-4-nitro-benzamide CAS Name: N-[2-cyano-4-[[3-cyano-4-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]methyl]phenyl]-4-nitrobenzamide IUPAC Name: N-[2-cyano-4-[[3-cyano-4-[(4-nitrobenzoyl)amino]phenyl]methyl]phenyl]-4-nitrobenzamide Traditional Name: N-[2-cyano-4-[3-cyano-4-[(4-nitrobenzoyl)amino]benzyl]phenyl]-4-nitro-benzamide Formula: C29H18N6O6 MolecularWeight: 546.48982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=C(C=C(C=C2)CC3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=C(C=C(C=C2)CC3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C29H18N6O6/c30-16-22-14-18(1-11-26(22)32-28(36)20-3-7-24(8-4-20)34(38)39)13-19-2-12-27(23(15-19)17-31)33-29(37)21-5-9-25(10-6-21)35(40)41/h1-12,14-15H,13H2,(H,32,36)(H,33,37)