1-[5-(5-methylfuran-2-yl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 1-[5-(5-methylfuran-2-yl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[5-(5-methyl-2-furyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[5-(5-methyl-2-furanyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 1-[5-(5-methylfuran-2-yl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[3-(5-methyl-2-furyl)-5-(3-nitrophenyl)-2-pyrazolin-1-yl]ethanone Formula: C16H15N3O4 MolecularWeight: 313.308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NN(C(C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC1=CC=C(O1)C2=NN(C(C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C16H15N3O4/c1-10-6-7-16(23-10)14-9-15(18(17-14)11(2)20)12-4-3-5-13(8-12)19(21)22/h3-8,15H,9H2,1-2H3