[2-(furan-2-yl)-6-methyl-4-oxidanylidene-chromen-3-yl] 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: [2-(furan-2-yl)-6-methyl-4-oxidanylidene-chromen-3-yl] 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: [2-(2-furyl)-6-methyl-4-oxo-chromen-3-yl] 3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 3-(4-nitro-1,3-dioxo-2-isoindolyl)propanoic acid [2-(2-furanyl)-6-methyl-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(furan-2-yl)-6-methyl-4-oxochromen-3-yl] 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)propionic acid [2-(2-furyl)-4-keto-6-methyl-chromen-3-yl] ester Formula: C25H16N2O9 MolecularWeight: 488.40254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C(C2=O)OC(=O)CCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C5=CC=CO5

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C(C2=O)OC(=O)CCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C5=CC=CO5

InChI

InChI=1S/C25H16N2O9/c1-13-7-8-17-15(12-13)21(29)23(22(35-17)18-6-3-11-34-18)36-19(28)9-10-26-24(30)14-4-2-5-16(27(32)33)20(14)25(26)31/h2-8,11-12H,9-10H2,1H3