4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione; 2,3,4-trimethoxybenzoic acid

Systemtic Name: 4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione; 2,3,4-trimethoxybenzoic acid Openeye Name: 4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione; 2,3,4-trimethoxybenzoic acid CAS Name: 4-butyl-1,2-diphenylpyrazolidine-3,5-dione; 2,3,4-trimethoxybenzoic acid IUPAC Name: 4-butyl-1,2-diphenylpyrazolidine-3,5-dione; 2,3,4-trimethoxybenzoic acid Traditional Name: 4-butyl-1,2-diphenyl-pyrazolidine-3,5-quinone; 2,3,4-trimethoxybenzoic acid Formula: C29H32N2O7 MolecularWeight: 520.57358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3.COC1=C(C(=C(C=C1)C(=O)O)OC)OC

Isomeric SMILES

CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3.COC1=C(C(=C(C=C1)C(=O)O)OC)OC

InChI

InChI=1S/C19H20N2O2.C10H12O5/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16;1-13-7-5-4-6(10(11)12)8(14-2)9(7)15-3/h4-13,17H,2-3,14H2,1H3;4-5H,1-3H3,(H,11,12)