(2-oxidanylidenechromen-7-yl) 4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: (2-oxidanylidenechromen-7-yl) 4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: (2-oxochromen-7-yl) 4-(4-nitro-1,3-dioxo-isoindolin-2-yl)butanoate CAS Name: 4-(4-nitro-1,3-dioxo-2-isoindolyl)butanoic acid (2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (2-oxochromen-7-yl) 4-(4-nitro-1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-(1,3-diketo-4-nitro-isoindolin-2-yl)butyric acid (2-ketochromen-7-yl) ester Formula: C21H14N2O8 MolecularWeight: 422.34446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCCC(=O)OC3=CC4=C(C=C3)C=CC(=O)O4

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCCC(=O)OC3=CC4=C(C=C3)C=CC(=O)O4

InChI

InChI=1S/C21H14N2O8/c24-17(30-13-8-6-12-7-9-18(25)31-16(12)11-13)5-2-10-22-20(26)14-3-1-4-15(23(28)29)19(14)21(22)27/h1,3-4,6-9,11H,2,5,10H2