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

Systemtic Name: 4-azanyl-1,5-dimethyl-2-phenyl-pyrazol-3-one; 3,4,5-trimethoxybenzoic acid Openeye Name: 4-amino-1,5-dimethyl-2-phenyl-pyrazol-3-one; 3,4,5-trimethoxybenzoic acid CAS Name: 4-amino-1,5-dimethyl-2-phenyl-3-pyrazolone; 3,4,5-trimethoxybenzoic acid IUPAC Name: 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one; 3,4,5-trimethoxybenzoic acid Traditional Name: 4-amino-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one; 3,4,5-trimethoxybenzoic acid Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N.COC1=CC(=CC(=C1OC)OC)C(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N.COC1=CC(=CC(=C1OC)OC)C(=O)O

InChI

InChI=1S/C11H13N3O.C10H12O5/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9;1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h3-7H,12H2,1-2H3;4-5H,1-3H3,(H,11,12)