(2-chloranylquinolin-3-yl)methyl 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: (2-chloro-3-quinolyl)methyl 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)acetic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetic acid (2-chloro-3-quinolyl)methyl ester Formula: C20H12ClN3O6 MolecularWeight: 425.77878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=N2)Cl)COC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=N2)Cl)COC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H12ClN3O6/c21-18-12(8-11-4-1-2-6-14(11)22-18)10-30-16(25)9-23-19(26)13-5-3-7-15(24(28)29)17(13)20(23)27/h1-8H,9-10H2