2-[[1,3-bis(oxidanylidene)-2-pyridin-2-yl-isoquinolin-4-ylidene]methylamino]-4-nitro-phenolate

Systemtic Name: 2-[[1,3-bis(oxidanylidene)-2-pyridin-2-yl-isoquinolin-4-ylidene]methylamino]-4-nitro-phenolate Openeye Name: 2-[[1,3-dioxo-2-(2-pyridyl)-4-isoquinolylidene]methylamino]-4-nitro-phenolate CAS Name: 2-[[1,3-dioxo-2-(2-pyridinyl)-4-isoquinolinylidene]methylamino]-4-nitrophenolate IUPAC Name: 2-[(1,3-dioxo-2-pyridin-2-ylisoquinolin-4-ylidene)methylamino]-4-nitrophenolate Traditional Name: 2-[[1,3-diketo-2-(2-pyridyl)-4-isoquinolylidene]methylamino]-4-nitro-phenolate Formula: C21H13N4O5- MolecularWeight: 401.35172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CNC3=C(C=CC(=C3)[N+](=O)[O-])[O-])C(=O)N(C2=O)C4=CC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CNC3=C(C=CC(=C3)[N+](=O)[O-])[O-])C(=O)N(C2=O)C4=CC=CC=N4

InChI

InChI=1S/C21H14N4O5/c26-18-9-8-13(25(29)30)11-17(18)23-12-16-14-5-1-2-6-15(14)20(27)24(21(16)28)19-7-3-4-10-22-19/h1-12,23,26H/p-1