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

Systemtic Name: 5-methyl-4-[[5-(2-methyl-5-nitro-phenyl)furan-2-yl]-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-methyl-4-[[5-(2-methyl-5-nitro-phenyl)-2-furyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one CAS Name: 5-methyl-4-[[5-(2-methyl-5-nitrophenyl)-2-furanyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-methyl-4-[[5-(2-methyl-5-nitrophenyl)furan-2-yl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one Traditional Name: 4-[(3-keto-5-methyl-3-pyrazolin-4-yl)-[5-(2-methyl-5-nitro-phenyl)-2-furyl]methyl]-5-methyl-3-pyrazolin-3-one Formula: C20H19N5O5 MolecularWeight: 409.39536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=C(O2)C(C3=C(NNC3=O)C)C4=C(NNC4=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=C(O2)C(C3=C(NNC3=O)C)C4=C(NNC4=O)C

InChI

InChI=1S/C20H19N5O5/c1-9-4-5-12(25(28)29)8-13(9)14-6-7-15(30-14)18(16-10(2)21-23-19(16)26)17-11(3)22-24-20(17)27/h4-8,18H,1-3H3,(H2,21,23,26)(H2,22,24,27)