2-chloranyl-N-[2-[(2,5-ditert-butylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-N-ethyl-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[2-[(2,5-ditert-butylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-N-ethyl-4-nitro-benzamide Openeye Name: 2-chloro-N-[2-[(2,5-ditert-butylpyrazol-3-yl)amino]-2-oxo-ethyl]-N-ethyl-4-nitro-benzamide CAS Name: 2-chloro-N-[2-[(2,5-ditert-butyl-3-pyrazolyl)amino]-2-oxoethyl]-N-ethyl-4-nitrobenzamide IUPAC Name: 2-chloro-N-[2-[(2,5-ditert-butylpyrazol-3-yl)amino]-2-oxoethyl]-N-ethyl-4-nitrobenzamide Traditional Name: 2-chloro-N-[2-[(2,5-ditert-butylpyrazol-3-yl)amino]-2-keto-ethyl]-N-ethyl-4-nitro-benzamide Formula: C22H30ClN5O4 MolecularWeight: 463.9577

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=CC(=NN1C(C)(C)C)C(C)(C)C)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCN(CC(=O)NC1=CC(=NN1C(C)(C)C)C(C)(C)C)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H30ClN5O4/c1-8-26(20(30)15-10-9-14(28(31)32)11-16(15)23)13-19(29)24-18-12-17(21(2,3)4)25-27(18)22(5,6)7/h9-12H,8,13H2,1-7H3,(H,24,29)