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

Systemtic Name: N-[5-chloranyl-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-3-nitro-benzamide Openeye Name: N-[5-chloro-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-3-nitro-benzamide CAS Name: N-[5-chloro-2-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]phenyl]-3-nitrobenzamide IUPAC Name: N-[5-chloro-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-3-nitrobenzamide Traditional Name: N-[5-chloro-2-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]-3-nitro-benzamide Formula: C26H23ClN4O4 MolecularWeight: 490.93822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H23ClN4O4/c27-21-10-11-24(23(18-21)28-26(33)20-7-4-8-22(17-20)31(34)35)29-13-15-30(16-14-29)25(32)12-9-19-5-2-1-3-6-19/h1-12,17-18H,13-16H2,(H,28,33)/b12-9+