4-(2-hydroxyethyl)-3-(4-methoxy-2-nitro-phenyl)-1,4-dihydropyrazol-5-one

Systemtic Name: 4-(2-hydroxyethyl)-3-(4-methoxy-2-nitro-phenyl)-1,4-dihydropyrazol-5-one Openeye Name: 4-(2-hydroxyethyl)-3-(4-methoxy-2-nitro-phenyl)-1,4-dihydropyrazol-5-one CAS Name: 4-(2-hydroxyethyl)-3-(4-methoxy-2-nitrophenyl)-1,4-dihydropyrazol-5-one IUPAC Name: 4-(2-hydroxyethyl)-3-(4-methoxy-2-nitrophenyl)-1,4-dihydropyrazol-5-one Traditional Name: 4-(2-hydroxyethyl)-5-(4-methoxy-2-nitro-phenyl)-2-pyrazolin-3-one Formula: C12H13N3O5 MolecularWeight: 279.24872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NNC(=O)C2CCO)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NNC(=O)C2CCO)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O5/c1-20-7-2-3-8(10(6-7)15(18)19)11-9(4-5-16)12(17)14-13-11/h2-3,6,9,16H,4-5H2,1H3,(H,14,17)