1,5-dimethyl-2-phenyl-pyrazol-3-one; 2-oxidanylbenzamide; 2-oxidanylbenzoic acid; (phenylmethyl) 2-oxidanyl-2-phenyl-ethanoate; 1,3,7-trimethylpurine-2,6-dione

Systemtic Name: 1,5-dimethyl-2-phenyl-pyrazol-3-one; 2-oxidanylbenzamide; 2-oxidanylbenzoic acid; (phenylmethyl) 2-oxidanyl-2-phenyl-ethanoate; 1,3,7-trimethylpurine-2,6-dione Openeye Name: benzyl 2-hydroxy-2-phenyl-acetate; 1,5-dimethyl-2-phenyl-pyrazol-3-one; 2-hydroxybenzamide; 2-hydroxybenzoic acid; 1,3,7-trimethylpurine-2,6-dione CAS Name: 1,5-dimethyl-2-phenyl-3-pyrazolone; 2-hydroxybenzamide; 2-hydroxybenzoic acid; 2-hydroxy-2-phenylacetic acid (phenylmethyl) ester; 1,3,7-trimethylpurine-2,6-dione IUPAC Name: benzyl 2-hydroxy-2-phenylacetate; 1,5-dimethyl-2-phenylpyrazol-3-one; 2-hydroxybenzamide; 2-hydroxybenzoic acid; 1,3,7-trimethylpurine-2,6-dione Traditional Name: antipyrine; caffeine; 2-hydroxy-2-phenyl-acetic acid benzyl ester; salicylamide; salicylic acid Formula: C48H49N7O11 MolecularWeight: 899.94296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1C)C2=CC=CC=C2.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C1=CC=C(C=C1)COC(=O)C(C2=CC=CC=C2)O.C1=CC=C(C(=C1)C(=O)N)O.C1=CC=C(C(=C1)C(=O)O)O

Isomeric SMILES

CC1=CC(=O)N(N1C)C2=CC=CC=C2.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C1=CC=C(C=C1)COC(=O)C(C2=CC=CC=C2)O.C1=CC=C(C(=C1)C(=O)N)O.C1=CC=C(C(=C1)C(=O)O)O

InChI

InChI=1S/C15H14O3.C11H12N2O.C8H10N4O2.C7H7NO2.C7H6O3/c16-14(13-9-5-2-6-10-13)15(17)18-11-12-7-3-1-4-8-12;1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;8-7(10)5-3-1-2-4-6(5)9;8-6-4-2-1-3-5(6)7(9)10/h1-10,14,16H,11H2;3-8H,1-2H3;4H,1-3H3;1-4,9H,(H2,8,10);1-4,8H,(H,9,10)