1-[5-(2-nitrophenyl)-3,4-dihydropyrazol-2-yl]butan-1-one

Systemtic Name: 1-[5-(2-nitrophenyl)-3,4-dihydropyrazol-2-yl]butan-1-one Openeye Name: 1-[5-(2-nitrophenyl)-3,4-dihydropyrazol-2-yl]butan-1-one CAS Name: 1-[5-(2-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-butanone IUPAC Name: 1-[5-(2-nitrophenyl)-3,4-dihydropyrazol-2-yl]butan-1-one Traditional Name: 1-[3-(2-nitrophenyl)-2-pyrazolin-1-yl]butan-1-one Formula: C13H15N3O3 MolecularWeight: 261.2765

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O3/c1-2-5-13(17)15-9-8-11(14-15)10-6-3-4-7-12(10)16(18)19/h3-4,6-7H,2,5,8-9H2,1H3