N-[4-[(E)-2-cyano-3-ethoxy-3-oxidanyl-prop-2-enoyl]phenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[4-[(E)-2-cyano-3-ethoxy-3-oxidanyl-prop-2-enoyl]phenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[4-[(E)-2-cyano-3-ethoxy-3-hydroxy-prop-2-enoyl]phenyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[4-[(E)-2-cyano-3-ethoxy-3-hydroxy-1-oxoprop-2-enyl]phenyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[4-[(E)-2-cyano-3-ethoxy-3-hydroxyprop-2-enoyl]phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[4-[(E)-2-cyano-3-ethoxy-3-hydroxy-acryloyl]phenyl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C25H26N4O6 MolecularWeight: 478.49714

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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)N3CCC(CC3)C)[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)N3CCC(CC3)C)[N+](=O)[O-])/O

InChI

InChI=1S/C25H26N4O6/c1-3-35-25(32)20(15-26)23(30)17-4-7-19(8-5-17)27-24(31)18-6-9-21(22(14-18)29(33)34)28-12-10-16(2)11-13-28/h4-9,14,16,32H,3,10-13H2,1-2H3,(H,27,31)/b25-20+