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

Systemtic Name: 1-[(2-chloranyl-4-nitro-phenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide Openeye Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide CAS Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-[3-(1-pyrazolyl)propyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide Traditional Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide Formula: C17H17ClN6O4 MolecularWeight: 404.80768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)CCCNC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CN(N=C1)CCCNC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H17ClN6O4/c18-14-11-13(24(26)27)3-4-16(14)28-12-23-10-5-15(21-23)17(25)19-6-1-8-22-9-2-7-20-22/h2-5,7,9-11H,1,6,8,12H2,(H,19,25)