[2-(cyclooctylamino)-2-oxidanylidene-ethyl] 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 3-(4-nitro-1,3-dioxo-2-isoindolyl)propanoic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)propionic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C21H25N3O7 MolecularWeight: 431.4391

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)COC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CCC1)NC(=O)COC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O7/c25-17(22-14-7-4-2-1-3-5-8-14)13-31-18(26)11-12-23-20(27)15-9-6-10-16(24(29)30)19(15)21(23)28/h6,9-10,14H,1-5,7-8,11-13H2,(H,22,25)