N-(2-chlorophenyl)carbonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

Systemtic Name: N-(2-chlorophenyl)carbonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide Openeye Name: N-(2-chlorobenzoyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide CAS Name: N-[(2-chlorophenyl)-oxomethyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinecarboxamide IUPAC Name: N-(2-chlorobenzoyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide Traditional Name: N-(2-chlorobenzoyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide Formula: C19H16ClF3N4O4 MolecularWeight: 456.80295

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C19H16ClF3N4O4/c20-14-4-2-1-3-13(14)17(28)24-18(29)26-9-7-25(8-10-26)15-6-5-12(19(21,22)23)11-16(15)27(30)31/h1-6,11H,7-10H2,(H,24,28,29)