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

Systemtic Name: (6-methyl-4-oxidanylidene-2-phenyl-chromen-3-yl) 4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: (6-methyl-4-oxo-2-phenyl-chromen-3-yl) 4-(4-nitro-1,3-dioxo-isoindolin-2-yl)butanoate CAS Name: 4-(4-nitro-1,3-dioxo-2-isoindolyl)butanoic acid (6-methyl-4-oxo-2-phenyl-1-benzopyran-3-yl) ester IUPAC Name: (6-methyl-4-oxo-2-phenylchromen-3-yl) 4-(4-nitro-1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-(1,3-diketo-4-nitro-isoindolin-2-yl)butyric acid (4-keto-6-methyl-2-phenyl-chromen-3-yl) ester Formula: C28H20N2O8 MolecularWeight: 512.467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C(C2=O)OC(=O)CCCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C(C2=O)OC(=O)CCCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C28H20N2O8/c1-16-12-13-21-19(15-16)24(32)26(25(37-21)17-7-3-2-4-8-17)38-22(31)11-6-14-29-27(33)18-9-5-10-20(30(35)36)23(18)28(29)34/h2-5,7-10,12-13,15H,6,11,14H2,1H3