4-(dimethylamino)-1,5-dimethyl-2-phenyl-pyrazol-3-one; 4-oxidanylbenzene-1,3-dicarboxylic acid

Systemtic Name: 4-(dimethylamino)-1,5-dimethyl-2-phenyl-pyrazol-3-one; 4-oxidanylbenzene-1,3-dicarboxylic acid Openeye Name: 4-(dimethylamino)-1,5-dimethyl-2-phenyl-pyrazol-3-one; 4-hydroxybenzene-1,3-dicarboxylic acid CAS Name: 4-(dimethylamino)-1,5-dimethyl-2-phenyl-3-pyrazolone; 4-hydroxybenzene-1,3-dicarboxylic acid IUPAC Name: 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one; 4-hydroxybenzene-1,3-dicarboxylic acid Traditional Name: 4-(dimethylamino)-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one; 4-hydroxyisophthalic acid Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C.C1=CC(=C(C=C1C(=O)O)C(=O)O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C.C1=CC(=C(C=C1C(=O)O)C(=O)O)O

InChI

InChI=1S/C13H17N3O.C8H6O5/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11;9-6-2-1-4(7(10)11)3-5(6)8(12)13/h5-9H,1-4H3;1-3,9H,(H,10,11)(H,12,13)