[5-ethyl-2-(4-nitrophenyl)pyrazol-3-yl] 3-chloranyl-2,2-dimethyl-propanoate

Systemtic Name: [5-ethyl-2-(4-nitrophenyl)pyrazol-3-yl] 3-chloranyl-2,2-dimethyl-propanoate Openeye Name: [5-ethyl-2-(4-nitrophenyl)pyrazol-3-yl] 3-chloro-2,2-dimethyl-propanoate CAS Name: 3-chloro-2,2-dimethylpropanoic acid [5-ethyl-2-(4-nitrophenyl)-3-pyrazolyl] ester IUPAC Name: [5-ethyl-2-(4-nitrophenyl)pyrazol-3-yl] 3-chloro-2,2-dimethylpropanoate Traditional Name: 3-chloro-2,2-dimethyl-propionic acid [5-ethyl-2-(4-nitrophenyl)pyrazol-3-yl] ester Formula: C16H18ClN3O4 MolecularWeight: 351.78482

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)OC(=O)C(C)(C)CCl)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=NN(C(=C1)OC(=O)C(C)(C)CCl)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18ClN3O4/c1-4-11-9-14(24-15(21)16(2,3)10-17)19(18-11)12-5-7-13(8-6-12)20(22)23/h5-9H,4,10H2,1-3H3