methyl 4-(5-nitro-3-oxidanylidene-1H-isoindol-2-yl)butanoate

Systemtic Name: methyl 4-(5-nitro-3-oxidanylidene-1H-isoindol-2-yl)butanoate Openeye Name: methyl 4-(6-nitro-1-oxo-isoindolin-2-yl)butanoate CAS Name: 4-(5-nitro-3-oxo-1H-isoindol-2-yl)butanoic acid methyl ester IUPAC Name: methyl 4-(5-nitro-3-oxo-1H-isoindol-2-yl)butanoate Traditional Name: 4-(1-keto-6-nitro-isoindolin-2-yl)butyric acid methyl ester Formula: C13H14N2O5 MolecularWeight: 278.26066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN1CC2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCN1CC2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O5/c1-20-12(16)3-2-6-14-8-9-4-5-10(15(18)19)7-11(9)13(14)17/h4-5,7H,2-3,6,8H2,1H3