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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylamino)-4-(4-methoxyphenyl)cyclobut-3-ene-1,2-dione Openeye Name: 3-(1,3-benzodioxol-5-ylmethylamino)-4-(4-methoxyphenyl)cyclobut-3-ene-1,2-dione CAS Name: 3-(1,3-benzodioxol-5-ylmethylamino)-4-(4-methoxyphenyl)cyclobut-3-ene-1,2-dione IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylamino)-4-(4-methoxyphenyl)cyclobut-3-ene-1,2-dione Traditional Name: 3-(4-methoxyphenyl)-4-(piperonylamino)cyclobut-3-ene-1,2-quinone Formula: C19H15NO5 MolecularWeight: 337.3261

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)C2=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)C2=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H15NO5/c1-23-13-5-3-12(4-6-13)16-17(19(22)18(16)21)20-9-11-2-7-14-15(8-11)25-10-24-14/h2-8,20H,9-10H2,1H3