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

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: (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 (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (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 (2-keto-4-methyl-chromen-7-yl) ester Formula: C21H14N2O8 MolecularWeight: 422.34446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14N2O8/c1-11-9-18(25)31-16-10-12(5-6-13(11)16)30-17(24)7-8-22-20(26)14-3-2-4-15(23(28)29)19(14)21(22)27/h2-6,9-10H,7-8H2,1H3