N-[5-chloranyl-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[5-chloranyl-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[5-chloro-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[5-chloro-2-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]phenyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[5-chloro-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[5-chloro-2-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]-4-methoxy-3-nitro-benzamide Formula: C27H25ClN4O5 MolecularWeight: 520.9642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C(=O)C=CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H25ClN4O5/c1-37-25-11-8-20(17-24(25)32(35)36)27(34)29-22-18-21(28)9-10-23(22)30-13-15-31(16-14-30)26(33)12-7-19-5-3-2-4-6-19/h2-12,17-18H,13-16H2,1H3,(H,29,34)/b12-7+