1-(1,3-benzodioxol-5-yl)-3-[(4-chlorophenyl)amino]-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[(4-chlorophenyl)amino]-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(4-chloroanilino)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(4-chloroanilino)-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(4-chloroanilino)-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(4-chloroanilino)-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C22H15ClN3O4+ MolecularWeight: 420.8252

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C(=O)C(=C(C3=O)[N+]4=CC=CC=C4)NC5=CC=C(C=C5)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C(=O)C(=C(C3=O)[N+]4=CC=CC=C4)NC5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H14ClN3O4/c23-14-4-6-15(7-5-14)24-19-20(25-10-2-1-3-11-25)22(28)26(21(19)27)16-8-9-17-18(12-16)30-13-29-17/h1-12H,13H2/p+1