2-chloranyl-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]carbonylphenyl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]carbonylphenyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[2-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[2-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-oxomethyl]phenyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[2-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[2-(4-isobutyrylpiperazine-1-carbonyl)phenyl]-4-nitro-benzamide Formula: C22H23ClN4O5 MolecularWeight: 458.89482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H23ClN4O5/c1-14(2)21(29)25-9-11-26(12-10-25)22(30)17-5-3-4-6-19(17)24-20(28)16-8-7-15(27(31)32)13-18(16)23/h3-8,13-14H,9-12H2,1-2H3,(H,24,28)