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

Systemtic Name: [3-(butylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: [3-(butylcarbamoyl)-2-oxo-chromen-7-yl] 3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 3-(4-nitro-1,3-dioxo-2-isoindolyl)propanoic acid [3-[butylamino(oxo)methyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(butylcarbamoyl)-2-oxochromen-7-yl] 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)propionic acid [3-(butylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C25H21N3O9 MolecularWeight: 507.44894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC2=C(C=C(C=C2)OC(=O)CCN3C(=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)CCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])OC1=O

InChI

InChI=1S/C25H21N3O9/c1-2-3-10-26-22(30)17-12-14-7-8-15(13-19(14)37-25(17)33)36-20(29)9-11-27-23(31)16-5-4-6-18(28(34)35)21(16)24(27)32/h4-8,12-13H,2-3,9-11H2,1H3,(H,26,30)