4-[[1-[(2-chloranyl-4-nitro-phenoxy)methyl]pyrazol-3-yl]carbonylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide

Systemtic Name: 4-[[1-[(2-chloranyl-4-nitro-phenoxy)methyl]pyrazol-3-yl]carbonylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide Openeye Name: 4-[[1-[(2-chloro-4-nitro-phenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-isobutyl-pyrazole-3-carboxamide CAS Name: 4-[[[1-[(2-chloro-4-nitrophenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]-1-ethyl-N-(2-methylpropyl)-3-pyrazolecarboxamide IUPAC Name: 4-[[1-[(2-chloro-4-nitrophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide Traditional Name: 4-[[1-[(2-chloro-4-nitro-phenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-isobutyl-pyrazole-3-carboxamide Formula: C21H24ClN7O5 MolecularWeight: 489.91216

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NCC(C)C)NC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NCC(C)C)NC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H24ClN7O5/c1-4-27-11-17(19(26-27)21(31)23-10-13(2)3)24-20(30)16-7-8-28(25-16)12-34-18-6-5-14(29(32)33)9-15(18)22/h5-9,11,13H,4,10,12H2,1-3H3,(H,23,31)(H,24,30)