4-[(4-nitrophenyl)methyl]-5-propyl-1,2-dihydropyrazol-3-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)NN1)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(C(=O)NN1)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O3/c1-2-3-12-11(13(17)15-14-12)8-9-4-6-10(7-5-9)16(18)19/h4-7H,2-3,8H2,1H3,(H2,14,15,17)