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

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)acetic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C20H23N3O7 MolecularWeight: 417.41252

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)COC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CCC1)NC(=O)COC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O7/c24-16(21-13-7-4-2-1-3-5-8-13)12-30-17(25)11-22-19(26)14-9-6-10-15(23(28)29)18(14)20(22)27/h6,9-10,13H,1-5,7-8,11-12H2,(H,21,24)