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

Systemtic Name: N-[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-methyl-3-nitro-benzamide CAS Name: N-[3-chloro-4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[3-chloro-4-(4-isobutyrylpiperazino)phenyl]-2-methyl-3-nitro-benzamide Formula: C22H25ClN4O4 MolecularWeight: 444.9113

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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(C)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4O4/c1-14(2)22(29)26-11-9-25(10-12-26)20-8-7-16(13-18(20)23)24-21(28)17-5-4-6-19(15(17)3)27(30)31/h4-8,13-14H,9-12H2,1-3H3,(H,24,28)