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

Systemtic Name: N-butyl-N-[2-[[2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-4-nitro-benzamide Openeye Name: N-butyl-N-[2-[[2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxo-ethyl]-4-nitro-benzamide CAS Name: N-butyl-N-[2-[[2-(2-chlorophenyl)-5-phenyl-3-pyrazolyl]amino]-2-oxoethyl]-4-nitrobenzamide IUPAC Name: N-butyl-N-[2-[[2-(2-chlorophenyl)-5-phenylpyrazol-3-yl]amino]-2-oxoethyl]-4-nitrobenzamide Traditional Name: N-butyl-N-[2-[[2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-keto-ethyl]-4-nitro-benzamide Formula: C28H26ClN5O4 MolecularWeight: 531.99014

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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)[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)[N+](=O)[O-]

InChI

InChI=1S/C28H26ClN5O4/c1-2-3-17-32(28(36)21-13-15-22(16-14-21)34(37)38)19-27(35)30-26-18-24(20-9-5-4-6-10-20)31-33(26)25-12-8-7-11-23(25)29/h4-16,18H,2-3,17,19H2,1H3,(H,30,35)