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

Systemtic Name: N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[3-chloro-4-(4-isovalerylpiperazino)phenyl]-4-methoxy-3-nitro-benzamide Formula: C23H27ClN4O5 MolecularWeight: 474.93728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H27ClN4O5/c1-15(2)12-22(29)27-10-8-26(9-11-27)19-6-5-17(14-18(19)24)25-23(30)16-4-7-21(33-3)20(13-16)28(31)32/h4-7,13-15H,8-12H2,1-3H3,(H,25,30)