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

Systemtic Name: 4-(5-nitro-3-oxidanylidene-1H-isoindol-2-yl)butanoate Openeye Name: 4-(6-nitro-1-oxo-isoindolin-2-yl)butanoate CAS Name: 4-(5-nitro-3-oxo-1H-isoindol-2-yl)butanoate IUPAC Name: 4-(5-nitro-3-oxo-1H-isoindol-2-yl)butanoate Traditional Name: 4-(1-keto-6-nitro-isoindolin-2-yl)butyrate Formula: C12H11N2O5- MolecularWeight: 263.22614

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1CCCC(=O)[O-]

Isomeric SMILES

C1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1CCCC(=O)[O-]

InChI

InChI=1S/C12H12N2O5/c15-11(16)2-1-5-13-7-8-3-4-9(14(18)19)6-10(8)12(13)17/h3-4,6H,1-2,5,7H2,(H,15,16)/p-1