N-butyl-4-chloranyl-N-[2-[[2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-butyl-4-chloranyl-N-[2-[[2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-butyl-4-chloro-N-[2-[[2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-butyl-4-chloro-N-[2-[[2-(2-chlorophenyl)-5-phenyl-3-pyrazolyl]amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-butyl-4-chloro-N-[2-[[2-(2-chlorophenyl)-5-phenylpyrazol-3-yl]amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-butyl-4-chloro-N-[2-[[2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-keto-ethyl]-3-nitro-benzamide Formula: C28H25Cl2N5O4 MolecularWeight: 566.4352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)NC1=CC(=NN1C2=CC=CC=C2Cl)C3=CC=CC=C3)C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CC(=O)NC1=CC(=NN1C2=CC=CC=C2Cl)C3=CC=CC=C3)C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C28H25Cl2N5O4/c1-2-3-15-33(28(37)20-13-14-22(30)25(16-20)35(38)39)18-27(36)31-26-17-23(19-9-5-4-6-10-19)32-34(26)24-12-8-7-11-21(24)29/h4-14,16-17H,2-3,15,18H2,1H3,(H,31,36)