N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-methyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-methylpiperazino)-3-nitro-benzamide Formula: C19H18ClF3N4O3 MolecularWeight: 442.81943

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClF3N4O3/c1-25-6-8-26(9-7-25)16-5-2-12(10-17(16)27(29)30)18(28)24-13-3-4-15(20)14(11-13)19(21,22)23/h2-5,10-11H,6-9H2,1H3,(H,24,28)