(4E)-2-(4-bromophenyl)-5-methyl-4-[(5-nitrofuran-2-yl)methylidene]pyrazol-3-one

Systemtic Name: (4E)-2-(4-bromophenyl)-5-methyl-4-[(5-nitrofuran-2-yl)methylidene]pyrazol-3-one Openeye Name: (4E)-2-(4-bromophenyl)-5-methyl-4-[(5-nitro-2-furyl)methylene]pyrazol-3-one CAS Name: (4E)-2-(4-bromophenyl)-5-methyl-4-[(5-nitro-2-furanyl)methylidene]-3-pyrazolone IUPAC Name: (4E)-2-(4-bromophenyl)-5-methyl-4-[(5-nitrofuran-2-yl)methylidene]pyrazol-3-one Traditional Name: (4E)-2-(4-bromophenyl)-5-methyl-4-[(5-nitro-2-furyl)methylene]-2-pyrazolin-3-one Formula: C15H10BrN3O4 MolecularWeight: 376.1616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(O2)[N+](=O)[O-])C3=CC=C(C=C3)Br

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC=C(O2)[N+](=O)[O-])C3=CC=C(C=C3)Br

InChI

InChI=1S/C15H10BrN3O4/c1-9-13(8-12-6-7-14(23-12)19(21)22)15(20)18(17-9)11-4-2-10(16)3-5-11/h2-8H,1H3/b13-8+