4-[[2-(5-chloranylpyridin-2-yl)-1,3-bis(oxidanylidene)isoquinolin-4-ylidene]methylamino]benzoate

Systemtic Name: 4-[[2-(5-chloranylpyridin-2-yl)-1,3-bis(oxidanylidene)isoquinolin-4-ylidene]methylamino]benzoate Openeye Name: 4-[[2-(5-chloro-2-pyridyl)-1,3-dioxo-4-isoquinolylidene]methylamino]benzoate CAS Name: 4-[[2-(5-chloro-2-pyridinyl)-1,3-dioxo-4-isoquinolinylidene]methylamino]benzoate IUPAC Name: 4-[[2-(5-chloropyridin-2-yl)-1,3-dioxoisoquinolin-4-ylidene]methylamino]benzoate Traditional Name: 4-[[2-(5-chloro-2-pyridyl)-1,3-diketo-4-isoquinolylidene]methylamino]benzoate Formula: C22H13ClN3O4- MolecularWeight: 418.80932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CNC3=CC=C(C=C3)C(=O)[O-])C(=O)N(C2=O)C4=NC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CNC3=CC=C(C=C3)C(=O)[O-])C(=O)N(C2=O)C4=NC=C(C=C4)Cl

InChI

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