2-methyl-4-[(4-nitrophenyl)methyl]-5-propyl-1H-pyrazol-3-one

Systemtic Name: 2-methyl-4-[(4-nitrophenyl)methyl]-5-propyl-1H-pyrazol-3-one Openeye Name: 2-methyl-4-[(4-nitrophenyl)methyl]-5-propyl-1H-pyrazol-3-one CAS Name: 2-methyl-4-[(4-nitrophenyl)methyl]-5-propyl-1H-pyrazol-3-one IUPAC Name: 2-methyl-4-[(4-nitrophenyl)methyl]-5-propyl-1H-pyrazol-3-one Traditional Name: 2-methyl-4-(4-nitrobenzyl)-5-propyl-3-pyrazolin-3-one Formula: C14H17N3O3 MolecularWeight: 275.30308

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)C)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O3/c1-3-4-13-12(14(18)16(2)15-13)9-10-5-7-11(8-6-10)17(19)20/h5-8,15H,3-4,9H2,1-2H3