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

Systemtic Name: N-butyl-N-[2-[[5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-butyl-N-[2-[[5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl]amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-butyl-N-[2-[[5-tert-butyl-2-(3,4-dichlorophenyl)-3-pyrazolyl]amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-butyl-N-[2-[[5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl]amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-butyl-N-[2-[[5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl]amino]-2-keto-ethyl]-3-nitro-benzamide Formula: C26H29Cl2N5O4 MolecularWeight: 546.44556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29Cl2N5O4/c1-5-6-12-31(25(35)17-8-7-9-19(13-17)33(36)37)16-24(34)29-23-15-22(26(2,3)4)30-32(23)18-10-11-20(27)21(28)14-18/h7-11,13-15H,5-6,12,16H2,1-4H3,(H,29,34)