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

Systemtic Name: 1-[(2-chloranyl-4-nitro-phenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide Openeye Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-(3-isopropoxypropyl)pyrazole-3-carboxamide CAS Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-(3-propan-2-yloxypropyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide Traditional Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-(3-isopropoxypropyl)pyrazole-3-carboxamide Formula: C17H21ClN4O5 MolecularWeight: 396.82544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)C1=NN(C=C1)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)OCCCNC(=O)C1=NN(C=C1)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H21ClN4O5/c1-12(2)26-9-3-7-19-17(23)15-6-8-21(20-15)11-27-16-5-4-13(22(24)25)10-14(16)18/h4-6,8,10,12H,3,7,9,11H2,1-2H3,(H,19,23)