2,5-bis(oxidanyl)benzoic acid; 4-(dimethylamino)-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 2,5-bis(oxidanyl)benzoic acid; 4-(dimethylamino)-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 2,5-dihydroxybenzoic acid; 4-(dimethylamino)-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 2,5-dihydroxybenzoic acid; 4-(dimethylamino)-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 2,5-dihydroxybenzoic acid; 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-(dimethylamino)-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one; gentisic acid Formula: C20H23N3O5 MolecularWeight: 385.41372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C.C1=CC(=C(C=C1O)C(=O)O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C.C1=CC(=C(C=C1O)C(=O)O)O

InChI

InChI=1S/C13H17N3O.C7H6O4/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11;8-4-1-2-6(9)5(3-4)7(10)11/h5-9H,1-4H3;1-3,8-9H,(H,10,11)