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

Systemtic Name: N-butyl-N-[2-[[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-butyl-N-[2-[[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-butyl-N-[2-[[5-tert-butyl-2-(2-chlorophenyl)-3-pyrazolyl]amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-butyl-N-[2-[[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-butyl-N-[2-[[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]amino]-2-keto-ethyl]-3-nitro-benzamide Formula: C26H30ClN5O4 MolecularWeight: 512.0005

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30ClN5O4/c1-5-6-14-30(25(34)18-10-9-11-19(15-18)32(35)36)17-24(33)28-23-16-22(26(2,3)4)29-31(23)21-13-8-7-12-20(21)27/h7-13,15-16H,5-6,14,17H2,1-4H3,(H,28,33)