N-[3-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[3-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[3-chloro-2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[3-chloro-2-(4-isobutyrylpiperazino)phenyl]-4-ethoxy-3-nitro-benzamide Formula: C23H27ClN4O5 MolecularWeight: 474.93728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN4O5/c1-4-33-20-9-8-16(14-19(20)28(31)32)22(29)25-18-7-5-6-17(24)21(18)26-10-12-27(13-11-26)23(30)15(2)3/h5-9,14-15H,4,10-13H2,1-3H3,(H,25,29)