tert-butyl N-[4-[[2-(5-nitro-1,3-dihydroisoindol-2-yl)-2-oxidanylidene-ethyl]amino]cyclohexyl]carbamate

Systemtic Name: tert-butyl N-[4-[[2-(5-nitro-1,3-dihydroisoindol-2-yl)-2-oxidanylidene-ethyl]amino]cyclohexyl]carbamate Openeye Name: tert-butyl N-[4-[[2-(5-nitroisoindolin-2-yl)-2-oxo-ethyl]amino]cyclohexyl]carbamate CAS Name: N-[4-[[2-(5-nitro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]amino]cyclohexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[[2-(5-nitro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]amino]cyclohexyl]carbamate Traditional Name: N-[4-[[2-keto-2-(5-nitroisoindolin-2-yl)ethyl]amino]cyclohexyl]carbamic acid tert-butyl ester Formula: C21H30N4O5 MolecularWeight: 418.4867

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCC(CC1)NCC(=O)N2CC3=C(C2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCC(CC1)NCC(=O)N2CC3=C(C2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H30N4O5/c1-21(2,3)30-20(27)23-17-7-5-16(6-8-17)22-11-19(26)24-12-14-4-9-18(25(28)29)10-15(14)13-24/h4,9-10,16-17,22H,5-8,11-13H2,1-3H3,(H,23,27)