(4Z)-5-methyl-2-[2-(4-methylphenoxy)ethanoyl]-4-[(5-nitrofuran-2-yl)methylidene]pyrazol-3-one

Systemtic Name: (4Z)-5-methyl-2-[2-(4-methylphenoxy)ethanoyl]-4-[(5-nitrofuran-2-yl)methylidene]pyrazol-3-one Openeye Name: (4Z)-5-methyl-2-[2-(4-methylphenoxy)acetyl]-4-[(5-nitro-2-furyl)methylene]pyrazol-3-one CAS Name: (4Z)-5-methyl-2-[2-(4-methylphenoxy)-1-oxoethyl]-4-[(5-nitro-2-furanyl)methylidene]-3-pyrazolone IUPAC Name: (4Z)-5-methyl-2-[2-(4-methylphenoxy)acetyl]-4-[(5-nitrofuran-2-yl)methylidene]pyrazol-3-one Traditional Name: (4Z)-5-methyl-2-[2-(4-methylphenoxy)acetyl]-4-[(5-nitro-2-furyl)methylene]-2-pyrazolin-3-one Formula: C18H15N3O6 MolecularWeight: 369.3282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(=O)N2C(=O)C(=CC3=CC=C(O3)[N+](=O)[O-])C(=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)OCC(=O)N2C(=O)/C(=C\C3=CC=C(O3)[N+](=O)[O-])/C(=N2)C

InChI

InChI=1S/C18H15N3O6/c1-11-3-5-13(6-4-11)26-10-16(22)20-18(23)15(12(2)19-20)9-14-7-8-17(27-14)21(24)25/h3-9H,10H2,1-2H3/b15-9-