N-[4-[(E)-2-cyano-3-ethoxy-3-oxidanyl-prop-2-enoyl]phenyl]-2,4-dinitro-benzamide

Systemtic Name: N-[4-[(E)-2-cyano-3-ethoxy-3-oxidanyl-prop-2-enoyl]phenyl]-2,4-dinitro-benzamide Openeye Name: N-[4-[(E)-2-cyano-3-ethoxy-3-hydroxy-prop-2-enoyl]phenyl]-2,4-dinitro-benzamide CAS Name: N-[4-[(E)-2-cyano-3-ethoxy-3-hydroxy-1-oxoprop-2-enyl]phenyl]-2,4-dinitrobenzamide IUPAC Name: N-[4-[(E)-2-cyano-3-ethoxy-3-hydroxyprop-2-enoyl]phenyl]-2,4-dinitrobenzamide Traditional Name: N-[4-[(E)-2-cyano-3-ethoxy-3-hydroxy-acryloyl]phenyl]-2,4-dinitro-benzamide Formula: C19H14N4O8 MolecularWeight: 426.33646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C#N)C(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C19H14N4O8/c1-2-31-19(26)15(10-20)17(24)11-3-5-12(6-4-11)21-18(25)14-8-7-13(22(27)28)9-16(14)23(29)30/h3-9,26H,2H2,1H3,(H,21,25)/b19-15+