2-[5-butyl-2-methyl-4-[(4-nitrophenyl)methyl]pyrazol-3-yl]oxyethanol

Systemtic Name: 2-[5-butyl-2-methyl-4-[(4-nitrophenyl)methyl]pyrazol-3-yl]oxyethanol Openeye Name: 2-[5-butyl-2-methyl-4-[(4-nitrophenyl)methyl]pyrazol-3-yl]oxyethanol CAS Name: 2-[[5-butyl-2-methyl-4-[(4-nitrophenyl)methyl]-3-pyrazolyl]oxy]ethanol IUPAC Name: 2-[5-butyl-2-methyl-4-[(4-nitrophenyl)methyl]pyrazol-3-yl]oxyethanol Traditional Name: 2-[5-butyl-2-methyl-4-(4-nitrobenzyl)pyrazol-3-yl]oxyethanol Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)[N+](=O)[O-])OCCO)C

Isomeric SMILES

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)[N+](=O)[O-])OCCO)C

InChI

InChI=1S/C17H23N3O4/c1-3-4-5-16-15(17(19(2)18-16)24-11-10-21)12-13-6-8-14(9-7-13)20(22)23/h6-9,21H,3-5,10-12H2,1-2H3