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

Systemtic Name: 4-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(4-hydroxy-3-methoxy-5-nitro-phenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one CAS Name: 4-[(4-hydroxy-3-methoxy-5-nitrophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(4-hydroxy-3-methoxy-5-nitrophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(4-hydroxy-3-methoxy-5-nitro-phenyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-3-pyrazolin-3-one Formula: C16H17N5O6 MolecularWeight: 375.33608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O6/c1-6-11(15(23)19-17-6)13(12-7(2)18-20-16(12)24)8-4-9(21(25)26)14(22)10(5-8)27-3/h4-5,13,22H,1-3H3,(H2,17,19,23)(H2,18,20,24)