3,5-dimethyl-4-[4-(2-nitrophenoxy)butyl]-1H-pyrazole; ethanedioic acid

Systemtic Name: 3,5-dimethyl-4-[4-(2-nitrophenoxy)butyl]-1H-pyrazole; ethanedioic acid Openeye Name: 3,5-dimethyl-4-[4-(2-nitrophenoxy)butyl]-1H-pyrazole; oxalic acid CAS Name: 3,5-dimethyl-4-[4-(2-nitrophenoxy)butyl]-1H-pyrazole; oxalic acid IUPAC Name: 3,5-dimethyl-4-[4-(2-nitrophenoxy)butyl]-1H-pyrazole; oxalic acid Traditional Name: 3,5-dimethyl-4-[4-(2-nitrophenoxy)butyl]-1H-pyrazole; oxalic acid Formula: C17H21N3O7 MolecularWeight: 379.36454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CCCCOC2=CC=CC=C2[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C(=NN1)C)CCCCOC2=CC=CC=C2[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C15H19N3O3.C2H2O4/c1-11-13(12(2)17-16-11)7-5-6-10-21-15-9-4-3-8-14(15)18(19)20;3-1(4)2(5)6/h3-4,8-9H,5-7,10H2,1-2H3,(H,16,17);(H,3,4)(H,5,6)