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

Systemtic Name: [2-(dicyclohexylamino)-2-oxidanylidene-ethyl] 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: [2-(dicyclohexylamino)-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-(dicyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(dicyclohexylamino)-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-(dicyclohexylamino)-2-keto-ethyl] ester Formula: C25H31N3O7 MolecularWeight: 485.52954

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)C(=O)COC(=O)CCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)C(=O)COC(=O)CCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H31N3O7/c29-21(27(17-8-3-1-4-9-17)18-10-5-2-6-11-18)16-35-22(30)14-15-26-24(31)19-12-7-13-20(28(33)34)23(19)25(26)32/h7,12-13,17-18H,1-6,8-11,14-16H2