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

Systemtic Name: N-[4-[(E)-2-cyano-3-ethoxy-3-oxidanyl-prop-2-enoyl]phenyl]-3-nitro-benzamide Openeye Name: N-[4-[(E)-2-cyano-3-ethoxy-3-hydroxy-prop-2-enoyl]phenyl]-3-nitro-benzamide CAS Name: N-[4-[(E)-2-cyano-3-ethoxy-3-hydroxy-1-oxoprop-2-enyl]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[(E)-2-cyano-3-ethoxy-3-hydroxyprop-2-enoyl]phenyl]-3-nitrobenzamide Traditional Name: N-[4-[(E)-2-cyano-3-ethoxy-3-hydroxy-acryloyl]phenyl]-3-nitro-benzamide Formula: C19H15N3O6 MolecularWeight: 381.3389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3O6/c1-2-28-19(25)16(11-20)17(23)12-6-8-14(9-7-12)21-18(24)13-4-3-5-15(10-13)22(26)27/h3-10,25H,2H2,1H3,(H,21,24)/b19-16+