N-butan-2-yl-1-[(2-chloranyl-4-nitro-phenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-butan-2-yl-1-[(2-chloranyl-4-nitro-phenoxy)methyl]pyrazole-3-carboxamide Openeye Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-sec-butyl-pyrazole-3-carboxamide CAS Name: N-butan-2-yl-1-[(2-chloro-4-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-butan-2-yl-1-[(2-chloro-4-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-sec-butyl-pyrazole-3-carboxamide Formula: C15H17ClN4O4 MolecularWeight: 352.77288

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=NN(C=C1)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCC(C)NC(=O)C1=NN(C=C1)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H17ClN4O4/c1-3-10(2)17-15(21)13-6-7-19(18-13)9-24-14-5-4-11(20(22)23)8-12(14)16/h4-8,10H,3,9H2,1-2H3,(H,17,21)