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

Systemtic Name: methyl 2-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]ethanoate Openeye Name: methyl 2-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetate CAS Name: 2-[5-methyl-2-(4-nitrophenyl)-3-pyrazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetate Traditional Name: 2-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetic acid methyl ester Formula: C13H13N3O4 MolecularWeight: 275.26002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)CC(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=C1)CC(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4/c1-9-7-12(8-13(17)20-2)15(14-9)10-3-5-11(6-4-10)16(18)19/h3-7H,8H2,1-2H3