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

Systemtic Name: 1-[3-cyclopenta-1,3-dien-1-yl-5-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[3-cyclopenta-1,3-dien-1-yl-5-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[3-(1-cyclopenta-1,3-dienyl)-5-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 1-[3-cyclopenta-1,3-dien-1-yl-5-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[5-cyclopenta-1,3-dien-1-yl-3-(4-nitrophenyl)-2-pyrazolin-1-yl]ethanone Formula: C16H15N3O3 MolecularWeight: 297.3086

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC3

Isomeric SMILES

CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC3

InChI

InChI=1S/C16H15N3O3/c1-11(20)18-16(13-4-2-3-5-13)10-15(17-18)12-6-8-14(9-7-12)19(21)22/h2-4,6-9,16H,5,10H2,1H3