ethyl 4-[2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]butanoate Openeye Name: ethyl 4-[[2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetyl]amino]butanoate CAS Name: 4-[[2-(5-nitro-1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]butanoate Traditional Name: 4-[[2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetyl]amino]butyric acid ethyl ester Formula: C16H17N3O7 MolecularWeight: 363.32208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCCNC(=O)CN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O7/c1-2-26-14(21)4-3-7-17-13(20)9-18-15(22)11-6-5-10(19(24)25)8-12(11)16(18)23/h5-6,8H,2-4,7,9H2,1H3,(H,17,20)