4-(2-hydroxyethyl)-2,5-dimethyl-1-(3-nitrophenyl)carbonyl-pyrazol-3-one

Systemtic Name: 4-(2-hydroxyethyl)-2,5-dimethyl-1-(3-nitrophenyl)carbonyl-pyrazol-3-one Openeye Name: 4-(2-hydroxyethyl)-2,5-dimethyl-1-(3-nitrobenzoyl)pyrazol-3-one CAS Name: 4-(2-hydroxyethyl)-2,5-dimethyl-1-[(3-nitrophenyl)-oxomethyl]-3-pyrazolone IUPAC Name: 4-(2-hydroxyethyl)-2,5-dimethyl-1-(3-nitrobenzoyl)pyrazol-3-one Traditional Name: 4-(2-hydroxyethyl)-2,5-dimethyl-1-(3-nitrobenzoyl)-3-pyrazolin-3-one Formula: C14H15N3O5 MolecularWeight: 305.286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C)CCO

Isomeric SMILES

CC1=C(C(=O)N(N1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C)CCO

InChI

InChI=1S/C14H15N3O5/c1-9-12(6-7-18)14(20)15(2)16(9)13(19)10-4-3-5-11(8-10)17(21)22/h3-5,8,18H,6-7H2,1-2H3