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

Systemtic Name: ethyl 2-[5-butyl-2-methyl-4-[(4-nitrophenyl)methyl]pyrazol-3-yl]oxyethanoate Openeye Name: ethyl 2-[5-butyl-2-methyl-4-[(4-nitrophenyl)methyl]pyrazol-3-yl]oxyacetate CAS Name: 2-[[5-butyl-2-methyl-4-[(4-nitrophenyl)methyl]-3-pyrazolyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-butyl-2-methyl-4-[(4-nitrophenyl)methyl]pyrazol-3-yl]oxyacetate Traditional Name: 2-[5-butyl-2-methyl-4-(4-nitrobenzyl)pyrazol-3-yl]oxyacetic acid ethyl ester Formula: C19H25N3O5 MolecularWeight: 375.4189

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O5/c1-4-6-7-17-16(12-14-8-10-15(11-9-14)22(24)25)19(21(3)20-17)27-13-18(23)26-5-2/h8-11H,4-7,12-13H2,1-3H3