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

Systemtic Name: [2-(4-tert-butylphenyl)-6-methyl-4-oxidanylidene-chromen-3-yl] 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: [2-(4-tert-butylphenyl)-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-(4-tert-butylphenyl)-6-methyl-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(4-tert-butylphenyl)-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-(4-tert-butylphenyl)-4-keto-6-methyl-chromen-3-yl] ester Formula: C31H26N2O8 MolecularWeight: 554.54674

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

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

InChI

InChI=1S/C31H26N2O8/c1-17-8-13-23-21(16-17)26(35)28(27(40-23)18-9-11-19(12-10-18)31(2,3)4)41-24(34)14-15-32-29(36)20-6-5-7-22(33(38)39)25(20)30(32)37/h5-13,16H,14-15H2,1-4H3