(4Z)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-pyridin-2-yl-isoquinoline-1,3-dione

Systemtic Name: (4Z)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-pyridin-2-yl-isoquinoline-1,3-dione Openeye Name: (4Z)-4-[(1,3-benzodioxol-5-ylamino)methylene]-2-(2-pyridyl)isoquinoline-1,3-dione CAS Name: (4Z)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(2-pyridinyl)isoquinoline-1,3-dione IUPAC Name: (4Z)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-pyridin-2-ylisoquinoline-1,3-dione Traditional Name: (4Z)-4-[(1,3-benzodioxol-5-ylamino)methylene]-2-(2-pyridyl)isoquinoline-1,3-quinone Formula: C22H15N3O4 MolecularWeight: 385.3722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC=C3C4=CC=CC=C4C(=O)N(C3=O)C5=CC=CC=N5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N/C=C\3/C4=CC=CC=C4C(=O)N(C3=O)C5=CC=CC=N5

InChI

InChI=1S/C22H15N3O4/c26-21-16-6-2-1-5-15(16)17(22(27)25(21)20-7-3-4-10-23-20)12-24-14-8-9-18-19(11-14)29-13-28-18/h1-12,24H,13H2/b17-12-