(2-chloranyl-7-methyl-quinolin-3-yl)methyl 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate

Systemtic Name: (2-chloranyl-7-methyl-quinolin-3-yl)methyl 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: (2-chloro-7-methyl-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-7-methyl-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methylquinolin-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-7-methyl-3-quinolyl)methyl ester Formula: C21H14ClN3O6 MolecularWeight: 439.80536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)COC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)COC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H14ClN3O6/c1-11-5-6-12-8-13(19(22)23-15(12)7-11)10-31-17(26)9-24-20(27)14-3-2-4-16(25(29)30)18(14)21(24)28/h2-8H,9-10H2,1H3