N-[(1E,3E)-4-cyano-3-methyl-buta-1,3-dienyl]-3,5-dinitro-N-(phenylmethyl)benzamide

Systemtic Name: N-[(1E,3E)-4-cyano-3-methyl-buta-1,3-dienyl]-3,5-dinitro-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-N-[(1E,3E)-4-cyano-3-methyl-buta-1,3-dienyl]-3,5-dinitro-benzamide CAS Name: N-[(1E,3E)-4-cyano-3-methylbuta-1,3-dienyl]-3,5-dinitro-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-N-[(1E,3E)-4-cyano-3-methylbuta-1,3-dienyl]-3,5-dinitrobenzamide Traditional Name: N-benzyl-N-[(1E,3E)-4-cyano-3-methyl-buta-1,3-dienyl]-3,5-dinitro-benzamide Formula: C20H16N4O5 MolecularWeight: 392.36484

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC#N)C=CN(CC1=CC=CC=C1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C/C(=C\C#N)/C=C/N(CC1=CC=CC=C1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O5/c1-15(7-9-21)8-10-22(14-16-5-3-2-4-6-16)20(25)17-11-18(23(26)27)13-19(12-17)24(28)29/h2-8,10-13H,14H2,1H3/b10-8+,15-7+