(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl 3-(6-nitroindazol-1-yl)propanoate

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl 3-(6-nitroindazol-1-yl)propanoate Openeye Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl 3-(6-nitroindazol-1-yl)propanoate CAS Name: 3-(6-nitro-1-indazolyl)propanoic acid (3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl 3-(6-nitroindazol-1-yl)propanoate Traditional Name: 3-(6-nitroindazol-1-yl)propionic acid (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C22H21N5O4 MolecularWeight: 419.43324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)COC(=O)CCN3C4=C(C=CC(=C4)[N+](=O)[O-])C=N3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)COC(=O)CCN3C4=C(C=CC(=C4)[N+](=O)[O-])C=N3

InChI

InChI=1S/C22H21N5O4/c1-15-20(16(2)26(24-15)18-6-4-3-5-7-18)14-31-22(28)10-11-25-21-12-19(27(29)30)9-8-17(21)13-23-25/h3-9,12-13H,10-11,14H2,1-2H3