(4Z)-6-bromanyl-4-[[(2-oxidanylidene-1H-pyridin-4-yl)methylamino]methylidene]isoquinoline-1,3-dione

Systemtic Name: (4Z)-6-bromanyl-4-[[(2-oxidanylidene-1H-pyridin-4-yl)methylamino]methylidene]isoquinoline-1,3-dione Openeye Name: (4Z)-6-bromo-4-[[(2-oxo-1H-pyridin-4-yl)methylamino]methylene]isoquinoline-1,3-dione CAS Name: (4Z)-6-bromo-4-[[(2-oxo-1H-pyridin-4-yl)methylamino]methylidene]isoquinoline-1,3-dione IUPAC Name: (4Z)-6-bromo-4-[[(2-oxo-1H-pyridin-4-yl)methylamino]methylidene]isoquinoline-1,3-dione Traditional Name: (4Z)-6-bromo-4-[[(2-keto-1H-pyridin-4-yl)methylamino]methylene]isoquinoline-1,3-quinone Formula: C16H12BrN3O3 MolecularWeight: 374.18878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=CNCC3=CC(=O)NC=C3)C(=O)NC2=O

Isomeric SMILES

C1=CC2=C(C=C1Br)/C(=C/NCC3=CC(=O)NC=C3)/C(=O)NC2=O

InChI

InChI=1S/C16H12BrN3O3/c17-10-1-2-11-12(6-10)13(16(23)20-15(11)22)8-18-7-9-3-4-19-14(21)5-9/h1-6,8,18H,7H2,(H,19,21)(H,20,22,23)/b13-8-