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

Systemtic Name: N-[3-chloranyl-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[3-chloro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-2-methyl-3-nitro-benzamide CAS Name: N-[3-chloro-4-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]phenyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[3-chloro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[3-chloro-4-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]-2-methyl-3-nitro-benzamide Formula: C27H25ClN4O4 MolecularWeight: 504.9648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C=CC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4)Cl

InChI

InChI=1S/C27H25ClN4O4/c1-19-22(8-5-9-24(19)32(35)36)27(34)29-21-11-12-25(23(28)18-21)30-14-16-31(17-15-30)26(33)13-10-20-6-3-2-4-7-20/h2-13,18H,14-17H2,1H3,(H,29,34)/b13-10+