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

Systemtic Name: (3-chloranyl-4-methyl-2-oxidanylidene-chromen-7-yl) 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: (3-chloro-4-methyl-2-oxo-chromen-7-yl) 3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 3-(4-nitro-1,3-dioxo-2-isoindolyl)propanoic acid (3-chloro-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (3-chloro-4-methyl-2-oxochromen-7-yl) 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)propionic acid (3-chloro-2-keto-4-methyl-chromen-7-yl) ester Formula: C21H13ClN2O8 MolecularWeight: 456.78952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)CCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)CCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H13ClN2O8/c1-10-12-6-5-11(9-15(12)32-21(28)18(10)22)31-16(25)7-8-23-19(26)13-3-2-4-14(24(29)30)17(13)20(23)27/h2-6,9H,7-8H2,1H3