4-[[5-(4-bromanyl-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-bromanyl-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-bromo-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-bromo-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-bromo-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-[[5-(4-bromo-2-nitro-phenyl)-2-furyl]-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-3-pyrazolin-3-one Formula: C19H16BrN5O5 MolecularWeight: 474.26484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C19H16BrN5O5/c1-8-15(18(26)23-21-8)17(16-9(2)22-24-19(16)27)14-6-5-13(30-14)11-4-3-10(20)7-12(11)25(28)29/h3-7,17H,1-2H3,(H2,21,23,26)(H2,22,24,27)