2-(2-ethoxy-5-nitro-phenyl)-5-methyl-4H-pyrazol-3-one

Systemtic Name: 2-(2-ethoxy-5-nitro-phenyl)-5-methyl-4H-pyrazol-3-one Openeye Name: 2-(2-ethoxy-5-nitro-phenyl)-5-methyl-4H-pyrazol-3-one CAS Name: 2-(2-ethoxy-5-nitrophenyl)-5-methyl-4H-pyrazol-3-one IUPAC Name: 2-(2-ethoxy-5-nitrophenyl)-5-methyl-4H-pyrazol-3-one Traditional Name: 2-(2-ethoxy-5-nitro-phenyl)-5-methyl-2-pyrazolin-3-one Formula: C12H13N3O4 MolecularWeight: 263.24932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)CC(=N2)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)CC(=N2)C

InChI

InChI=1S/C12H13N3O4/c1-3-19-11-5-4-9(15(17)18)7-10(11)14-12(16)6-8(2)13-14/h4-5,7H,3,6H2,1-2H3