[3-(butylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate

Systemtic Name: [3-(butylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate Openeye Name: [3-(butylcarbamoyl)-2-oxo-chromen-7-yl] 6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanoate CAS Name: 6-(4-nitro-1,3-dioxo-2-isoindolyl)hexanoic acid [3-[butylamino(oxo)methyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(butylcarbamoyl)-2-oxochromen-7-yl] 6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanoate Traditional Name: 6-(1,3-diketo-4-nitro-isoindolin-2-yl)hexanoic acid [3-(butylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C28H27N3O9 MolecularWeight: 549.52868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC2=C(C=C(C=C2)OC(=O)CCCCCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])OC1=O

Isomeric SMILES

CCCCNC(=O)C1=CC2=C(C=C(C=C2)OC(=O)CCCCCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])OC1=O

InChI

InChI=1S/C28H27N3O9/c1-2-3-13-29-25(33)20-15-17-11-12-18(16-22(17)40-28(20)36)39-23(32)10-5-4-6-14-30-26(34)19-8-7-9-21(31(37)38)24(19)27(30)35/h7-9,11-12,15-16H,2-6,10,13-14H2,1H3,(H,29,33)