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

Systemtic Name: [2-(4-methoxyphenyl)-7-methyl-4-oxidanylidene-chromen-3-yl] 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: [2-(4-methoxyphenyl)-7-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-(4-methoxyphenyl)-7-methyl-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(4-methoxyphenyl)-7-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 [4-keto-2-(4-methoxyphenyl)-7-methyl-chromen-3-yl] ester Formula: C28H20N2O9 MolecularWeight: 528.4664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)OC)OC(=O)CCN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)OC)OC(=O)CCN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H20N2O9/c1-15-6-11-18-21(14-15)38-25(16-7-9-17(37-2)10-8-16)26(24(18)32)39-22(31)12-13-29-27(33)19-4-3-5-20(30(35)36)23(19)28(29)34/h3-11,14H,12-13H2,1-2H3