2-(4-methoxyphenyl)ethyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: 2-(4-methoxyphenyl)ethyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: 2-(4-methoxyphenyl)ethyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid 2-(4-methoxyphenyl)ethyl ester IUPAC Name: 2-(4-methoxyphenyl)ethyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid 2-(4-methoxyphenyl)ethyl ester Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCCC2=CC=C(C=C2)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCCC2=CC=C(C=C2)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O5/c1-11-16(19(21)22)12(2)18(17-11)10-15(20)24-9-8-13-4-6-14(23-3)7-5-13/h4-7H,8-10H2,1-3H3