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

Systemtic Name: N-[2-[[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-2-chloranyl-4-nitro-N-pentyl-benzamide Openeye Name: N-[2-[[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]amino]-2-oxo-ethyl]-2-chloro-4-nitro-N-pentyl-benzamide CAS Name: N-[2-[[5-tert-butyl-2-(4-methoxyphenyl)-3-pyrazolyl]amino]-2-oxoethyl]-2-chloro-4-nitro-N-pentylbenzamide IUPAC Name: N-[2-[[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]amino]-2-oxoethyl]-2-chloro-4-nitro-N-pentylbenzamide Traditional Name: N-amyl-N-[2-[[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]amino]-2-keto-ethyl]-2-chloro-4-nitro-benzamide Formula: C28H34ClN5O5 MolecularWeight: 556.05306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34ClN5O5/c1-6-7-8-15-32(27(36)22-14-11-20(34(37)38)16-23(22)29)18-26(35)30-25-17-24(28(2,3)4)31-33(25)19-9-12-21(39-5)13-10-19/h9-14,16-17H,6-8,15,18H2,1-5H3,(H,30,35)