4-(2-hydroxyethyl)-3-methyl-2-(4-nitrophenyl)carbonyl-1H-pyrazol-5-one

Systemtic Name: 4-(2-hydroxyethyl)-3-methyl-2-(4-nitrophenyl)carbonyl-1H-pyrazol-5-one Openeye Name: 4-(2-hydroxyethyl)-3-methyl-2-(4-nitrobenzoyl)-1H-pyrazol-5-one CAS Name: 4-(2-hydroxyethyl)-3-methyl-2-[(4-nitrophenyl)-oxomethyl]-1H-pyrazol-5-one IUPAC Name: 4-(2-hydroxyethyl)-3-methyl-2-(4-nitrobenzoyl)-1H-pyrazol-5-one Traditional Name: 4-(2-hydroxyethyl)-5-methyl-1-(4-nitrobenzoyl)-3-pyrazolin-3-one Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])CCO

Isomeric SMILES

CC1=C(C(=O)NN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])CCO

InChI

InChI=1S/C13H13N3O5/c1-8-11(6-7-17)12(18)14-15(8)13(19)9-2-4-10(5-3-9)16(20)21/h2-5,17H,6-7H2,1H3,(H,14,18)