4-azanyl-1,5-dimethyl-2-phenyl-pyrazol-3-one; 4-oxidanylbenzene-1,3-dicarboxylic acid

Systemtic Name: 4-azanyl-1,5-dimethyl-2-phenyl-pyrazol-3-one; 4-oxidanylbenzene-1,3-dicarboxylic acid Openeye Name: 4-amino-1,5-dimethyl-2-phenyl-pyrazol-3-one; 4-hydroxybenzene-1,3-dicarboxylic acid CAS Name: 4-amino-1,5-dimethyl-2-phenyl-3-pyrazolone; 4-hydroxybenzene-1,3-dicarboxylic acid IUPAC Name: 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one; 4-hydroxybenzene-1,3-dicarboxylic acid Traditional Name: 4-amino-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one; 4-hydroxyisophthalic acid Formula: C19H19N3O6 MolecularWeight: 385.37066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O.C8H6O5/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9;9-6-2-1-4(7(10)11)3-5(6)8(12)13/h3-7H,12H2,1-2H3;1-3,9H,(H,10,11)(H,12,13)