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

Systemtic Name: ethyl 2-[2-methyl-4-[(4-nitrophenyl)methyl]-5-propyl-pyrazol-3-yl]oxyethanoate Openeye Name: ethyl 2-[2-methyl-4-[(4-nitrophenyl)methyl]-5-propyl-pyrazol-3-yl]oxyacetate CAS Name: 2-[[2-methyl-4-[(4-nitrophenyl)methyl]-5-propyl-3-pyrazolyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-methyl-4-[(4-nitrophenyl)methyl]-5-propylpyrazol-3-yl]oxyacetate Traditional Name: 2-[2-methyl-4-(4-nitrobenzyl)-5-propyl-pyrazol-3-yl]oxyacetic acid ethyl ester Formula: C18H23N3O5 MolecularWeight: 361.39232

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1CC2=CC=C(C=C2)[N+](=O)[O-])OCC(=O)OCC)C

Isomeric SMILES

CCCC1=NN(C(=C1CC2=CC=C(C=C2)[N+](=O)[O-])OCC(=O)OCC)C

InChI

InChI=1S/C18H23N3O5/c1-4-6-16-15(11-13-7-9-14(10-8-13)21(23)24)18(20(3)19-16)26-12-17(22)25-5-2/h7-10H,4-6,11-12H2,1-3H3