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

Systemtic Name: N-butyl-N-[2-[[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-butyl-N-[2-[[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]amino]-2-oxo-ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-butyl-N-[2-[[5-tert-butyl-2-(4-chlorophenyl)-3-pyrazolyl]amino]-2-oxoethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-butyl-N-[2-[[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]amino]-2-oxoethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-butyl-N-[2-[[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]amino]-2-keto-ethyl]-4-methyl-3-nitro-benzamide Formula: C27H32ClN5O4 MolecularWeight: 526.02708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)Cl)C(C)(C)C)C(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)Cl)C(C)(C)C)C(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C27H32ClN5O4/c1-6-7-14-31(26(35)19-9-8-18(2)22(15-19)33(36)37)17-25(34)29-24-16-23(27(3,4)5)30-32(24)21-12-10-20(28)11-13-21/h8-13,15-16H,6-7,14,17H2,1-5H3,(H,29,34)