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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylamino)-4-chloranyl-1-phenethyl-pyrrole-2,5-dione Openeye Name: 3-(1,3-benzodioxol-5-ylmethylamino)-4-chloro-1-phenethyl-pyrrole-2,5-dione CAS Name: 3-(1,3-benzodioxol-5-ylmethylamino)-4-chloro-1-phenethylpyrrole-2,5-dione IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylamino)-4-chloro-1-phenethylpyrrole-2,5-dione Traditional Name: 3-chloro-1-phenethyl-4-(piperonylamino)-3-pyrroline-2,5-quinone Formula: C20H17ClN2O4 MolecularWeight: 384.81298

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=O)N(C3=O)CCC4=CC=CC=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=O)N(C3=O)CCC4=CC=CC=C4)Cl

InChI

InChI=1S/C20H17ClN2O4/c21-17-18(22-11-14-6-7-15-16(10-14)27-12-26-15)20(25)23(19(17)24)9-8-13-4-2-1-3-5-13/h1-7,10,22H,8-9,11-12H2