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

Systemtic Name: 4-[[5-(4-methoxy-2-nitro-phenyl)furan-2-yl]-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Openeye Name: 4-[[5-(4-methoxy-2-nitro-phenyl)-2-furyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one CAS Name: 4-[[5-(4-methoxy-2-nitrophenyl)-2-furanyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(3-keto-5-methyl-3-pyrazolin-4-yl)-[5-(4-methoxy-2-nitro-phenyl)-2-furyl]methyl]-5-methyl-3-pyrazolin-3-one Formula: C20H19N5O6 MolecularWeight: 425.39476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC=C(O2)C3=C(C=C(C=C3)OC)[N+](=O)[O-])C4=C(NNC4=O)C

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CC=C(O2)C3=C(C=C(C=C3)OC)[N+](=O)[O-])C4=C(NNC4=O)C

InChI

InChI=1S/C20H19N5O6/c1-9-16(19(26)23-21-9)18(17-10(2)22-24-20(17)27)15-7-6-14(31-15)12-5-4-11(30-3)8-13(12)25(28)29/h4-8,18H,1-3H3,(H2,21,23,26)(H2,22,24,27)