dimethyl 2-(7-nitro-3-oxidanylidene-1H-isoindol-2-yl)pentanedioate

Systemtic Name: dimethyl 2-(7-nitro-3-oxidanylidene-1H-isoindol-2-yl)pentanedioate Openeye Name: dimethyl 2-(4-nitro-1-oxo-isoindolin-2-yl)pentanedioate CAS Name: 2-(7-nitro-3-oxo-1H-isoindol-2-yl)pentanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(7-nitro-3-oxo-1H-isoindol-2-yl)pentanedioate Traditional Name: 2-(1-keto-4-nitro-isoindolin-2-yl)glutaric acid dimethyl ester Formula: C15H16N2O7 MolecularWeight: 336.29674

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(C(=O)OC)N1CC2=C(C1=O)C=CC=C2[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCC(C(=O)OC)N1CC2=C(C1=O)C=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C15H16N2O7/c1-23-13(18)7-6-12(15(20)24-2)16-8-10-9(14(16)19)4-3-5-11(10)17(21)22/h3-5,12H,6-8H2,1-2H3