3-(1,3-benzodioxol-5-ylmethylamino)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylamino)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione Openeye Name: 3-(1,3-benzodioxol-5-ylmethylamino)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione CAS Name: 3-(1,3-benzodioxol-5-ylmethylamino)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylamino)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione Traditional Name: 3-(piperonylamino)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-quinone Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=C(C(=O)C2=O)NCC3=CC4=C(C=C3)OCO4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=C(C(=O)C2=O)NCC3=CC4=C(C=C3)OCO4)C)C

InChI

InChI=1S/C21H19NO4/c1-11-6-13(3)15(7-12(11)2)18-19(21(24)20(18)23)22-9-14-4-5-16-17(8-14)26-10-25-16/h4-8,22H,9-10H2,1-3H3