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

Systemtic Name: [2-(4-tert-butylphenyl)-6-methyl-4-oxidanylidene-chromen-3-yl] 4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: [2-(4-tert-butylphenyl)-6-methyl-4-oxo-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 [2-(4-tert-butylphenyl)-6-methyl-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(4-tert-butylphenyl)-6-methyl-4-oxochromen-3-yl] 4-(4-nitro-1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-(1,3-diketo-4-nitro-isoindolin-2-yl)butyric acid [2-(4-tert-butylphenyl)-4-keto-6-methyl-chromen-3-yl] ester Formula: C32H28N2O8 MolecularWeight: 568.57332

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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=C(C=C5)C(C)(C)C

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=C(C=C5)C(C)(C)C

InChI

InChI=1S/C32H28N2O8/c1-18-10-15-24-22(17-18)27(36)29(28(41-24)19-11-13-20(14-12-19)32(2,3)4)42-25(35)9-6-16-33-30(37)21-7-5-8-23(34(39)40)26(21)31(33)38/h5,7-8,10-15,17H,6,9,16H2,1-4H3