2-(1,3-benzodioxol-5-ylmethylamino)-3-chloranyl-naphthalene-1,4-dione

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-3-chloranyl-naphthalene-1,4-dione Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-3-chloro-naphthalene-1,4-dione CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-3-chloronaphthalene-1,4-dione IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-3-chloronaphthalene-1,4-dione Traditional Name: 2-chloro-3-(piperonylamino)-1,4-naphthoquinone Formula: C18H12ClNO4 MolecularWeight: 341.74518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=O)C4=CC=CC=C4C3=O)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=O)C4=CC=CC=C4C3=O)Cl

InChI

InChI=1S/C18H12ClNO4/c19-15-16(18(22)12-4-2-1-3-11(12)17(15)21)20-8-10-5-6-13-14(7-10)24-9-23-13/h1-7,20H,8-9H2