N-[5-chloranyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[5-chloranyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[5-chloro-2-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[5-chloro-2-(4-isovalerylpiperazino)phenyl]-4-ethoxy-3-nitro-benzamide Formula: C24H29ClN4O5 MolecularWeight: 488.96386

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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)CC(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)CC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C24H29ClN4O5/c1-4-34-22-8-5-17(14-21(22)29(32)33)24(31)26-19-15-18(25)6-7-20(19)27-9-11-28(12-10-27)23(30)13-16(2)3/h5-8,14-16H,4,9-13H2,1-3H3,(H,26,31)