2-(4-methyl-2-nitro-phenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

Systemtic Name: 2-(4-methyl-2-nitro-phenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-(4-methyl-2-nitro-phenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 2-(4-methyl-2-nitrophenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-(4-methyl-2-nitrophenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-(4-methyl-2-nitro-phenoxy)-1-(3-phenyl-2-pyrazolin-1-yl)ethanone Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)N2CCC(=N2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)N2CCC(=N2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4/c1-13-7-8-17(16(11-13)21(23)24)25-12-18(22)20-10-9-15(19-20)14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3