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

Systemtic Name: N-[4-[(E)-2-cyano-3-ethoxy-3-oxidanyl-prop-2-enoyl]phenyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[4-[(E)-2-cyano-3-ethoxy-3-hydroxy-prop-2-enoyl]phenyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[4-[(E)-2-cyano-3-ethoxy-3-hydroxy-1-oxoprop-2-enyl]phenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[4-[(E)-2-cyano-3-ethoxy-3-hydroxyprop-2-enoyl]phenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[4-[(E)-2-cyano-3-ethoxy-3-hydroxy-acryloyl]phenyl]-4-morpholino-3-nitro-benzamide Formula: C23H22N4O7 MolecularWeight: 466.44338

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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(=C(C=C2)N3CCOCC3)[N+](=O)[O-])O

Isomeric SMILES

CCO/C(=C(\C#N)/C(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])/O

InChI

InChI=1S/C23H22N4O7/c1-2-34-23(30)18(14-24)21(28)15-3-6-17(7-4-15)25-22(29)16-5-8-19(20(13-16)27(31)32)26-9-11-33-12-10-26/h3-8,13,30H,2,9-12H2,1H3,(H,25,29)/b23-18+