5-butyl-1-(2-hydroxyethyl)-2-methyl-4-[(4-nitrophenyl)methyl]pyrazol-3-one

Systemtic Name: 5-butyl-1-(2-hydroxyethyl)-2-methyl-4-[(4-nitrophenyl)methyl]pyrazol-3-one Openeye Name: 5-butyl-1-(2-hydroxyethyl)-2-methyl-4-[(4-nitrophenyl)methyl]pyrazol-3-one CAS Name: 5-butyl-1-(2-hydroxyethyl)-2-methyl-4-[(4-nitrophenyl)methyl]-3-pyrazolone IUPAC Name: 5-butyl-1-(2-hydroxyethyl)-2-methyl-4-[(4-nitrophenyl)methyl]pyrazol-3-one Traditional Name: 5-butyl-1-(2-hydroxyethyl)-2-methyl-4-(4-nitrobenzyl)-3-pyrazolin-3-one Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N(N1CCO)C)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=C(C(=O)N(N1CCO)C)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O4/c1-3-4-5-16-15(17(22)18(2)19(16)10-11-21)12-13-6-8-14(9-7-13)20(23)24/h6-9,21H,3-5,10-12H2,1-2H3