4-[(2,4-dimethoxy-5-nitro-phenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[(2,4-dimethoxy-5-nitro-phenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(2,4-dimethoxy-5-nitro-phenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one CAS Name: 4-[(2,4-dimethoxy-5-nitrophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(2,4-dimethoxy-5-nitrophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(2,4-dimethoxy-5-nitro-phenyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-3-pyrazolin-3-one Formula: C17H19N5O6 MolecularWeight: 389.36266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC(=C(C=C2OC)OC)[N+](=O)[O-])C3=C(NNC3=O)C

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CC(=C(C=C2OC)OC)[N+](=O)[O-])C3=C(NNC3=O)C

InChI

InChI=1S/C17H19N5O6/c1-7-13(16(23)20-18-7)15(14-8(2)19-21-17(14)24)9-5-10(22(25)26)12(28-4)6-11(9)27-3/h5-6,15H,1-4H3,(H2,18,20,23)(H2,19,21,24)