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

Systemtic Name: N-[2-[[5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-3-nitro-N-pentyl-benzamide Openeye Name: N-[2-[[5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl]amino]-2-oxo-ethyl]-3-nitro-N-pentyl-benzamide CAS Name: N-[2-[[5-tert-butyl-2-(3,4-dichlorophenyl)-3-pyrazolyl]amino]-2-oxoethyl]-3-nitro-N-pentylbenzamide IUPAC Name: N-[2-[[5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl]amino]-2-oxoethyl]-3-nitro-N-pentylbenzamide Traditional Name: N-amyl-N-[2-[[5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl]amino]-2-keto-ethyl]-3-nitro-benzamide Formula: C27H31Cl2N5O4 MolecularWeight: 560.47214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(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

CCCCCN(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/C27H31Cl2N5O4/c1-5-6-7-13-32(26(36)18-9-8-10-20(14-18)34(37)38)17-25(35)30-24-16-23(27(2,3)4)31-33(24)19-11-12-21(28)22(29)15-19/h8-12,14-16H,5-7,13,17H2,1-4H3,(H,30,35)