(4E)-5-methyl-2-(4-methylphenyl)-4-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]pyrazol-3-one

Systemtic Name: (4E)-5-methyl-2-(4-methylphenyl)-4-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]pyrazol-3-one Openeye Name: (4E)-5-methyl-4-[(E)-3-(5-nitro-2-furyl)prop-2-enylidene]-2-(p-tolyl)pyrazol-3-one CAS Name: (4E)-5-methyl-2-(4-methylphenyl)-4-[(E)-3-(5-nitro-2-furanyl)prop-2-enylidene]-3-pyrazolone IUPAC Name: (4E)-5-methyl-2-(4-methylphenyl)-4-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]pyrazol-3-one Traditional Name: (4E)-5-methyl-4-[(E)-3-(5-nitro-2-furyl)prop-2-enylidene]-2-(p-tolyl)-2-pyrazolin-3-one Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O4/c1-12-6-8-14(9-7-12)20-18(22)16(13(2)19-20)5-3-4-15-10-11-17(25-15)21(23)24/h3-11H,1-2H3/b4-3+,16-5+