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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylamino)-4-phenyl-cyclobut-3-ene-1,2-dione Openeye Name: 3-(1,3-benzodioxol-5-ylmethylamino)-4-phenyl-cyclobut-3-ene-1,2-dione CAS Name: 3-(1,3-benzodioxol-5-ylmethylamino)-4-phenylcyclobut-3-ene-1,2-dione IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylamino)-4-phenylcyclobut-3-ene-1,2-dione Traditional Name: 3-phenyl-4-(piperonylamino)cyclobut-3-ene-1,2-quinone Formula: C18H13NO4 MolecularWeight: 307.30012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=O)C3=O)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=O)C3=O)C4=CC=CC=C4

InChI

InChI=1S/C18H13NO4/c20-17-15(12-4-2-1-3-5-12)16(18(17)21)19-9-11-6-7-13-14(8-11)23-10-22-13/h1-8,19H,9-10H2