1-[5-(5-chloranyl-2-nitro-phenyl)-3,4-dihydropyrazol-2-yl]butan-1-one

Systemtic Name: 1-[5-(5-chloranyl-2-nitro-phenyl)-3,4-dihydropyrazol-2-yl]butan-1-one Openeye Name: 1-[5-(5-chloro-2-nitro-phenyl)-3,4-dihydropyrazol-2-yl]butan-1-one CAS Name: 1-[5-(5-chloro-2-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-butanone IUPAC Name: 1-[5-(5-chloro-2-nitrophenyl)-3,4-dihydropyrazol-2-yl]butan-1-one Traditional Name: 1-[3-(5-chloro-2-nitro-phenyl)-2-pyrazolin-1-yl]butan-1-one Formula: C13H14ClN3O3 MolecularWeight: 295.72156

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCC(=N1)C2=C(C=CC(=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)N1CCC(=N1)C2=C(C=CC(=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H14ClN3O3/c1-2-3-13(18)16-7-6-11(15-16)10-8-9(14)4-5-12(10)17(19)20/h4-5,8H,2-3,6-7H2,1H3