4-ethoxy-3-nitro-N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]benzamide

Systemtic Name: 4-ethoxy-3-nitro-N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]benzamide Openeye Name: 4-ethoxy-3-nitro-N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]benzamide CAS Name: 4-ethoxy-3-nitro-N-[4-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]phenyl]benzamide IUPAC Name: 4-ethoxy-3-nitro-N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]benzamide Traditional Name: 4-ethoxy-3-nitro-N-[4-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]benzamide Formula: C28H28N4O5 MolecularWeight: 500.54572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C=CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H28N4O5/c1-2-37-26-14-9-22(20-25(26)32(35)36)28(34)29-23-10-12-24(13-11-23)30-16-18-31(19-17-30)27(33)15-8-21-6-4-3-5-7-21/h3-15,20H,2,16-19H2,1H3,(H,29,34)/b15-8+