ditert-butyl 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]-4-(4-nitrobutanoylamino)heptanedioate

Systemtic Name: ditert-butyl 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]-4-(4-nitrobutanoylamino)heptanedioate Openeye Name: ditert-butyl 4-(3-tert-butoxy-3-oxo-propyl)-4-(4-nitrobutanoylamino)heptanedioate CAS Name: 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-4-[(4-nitro-1-oxobutyl)amino]heptanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-4-(4-nitrobutanoylamino)heptanedioate Traditional Name: 4-(3-tert-butoxy-3-keto-propyl)-4-(4-nitrobutanoylamino)pimelic acid ditert-butyl ester Formula: C26H46N2O9 MolecularWeight: 530.65144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(CCC(=O)OC(C)(C)C)(CCC(=O)OC(C)(C)C)NC(=O)CCC[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CCC(CCC(=O)OC(C)(C)C)(CCC(=O)OC(C)(C)C)NC(=O)CCC[N+](=O)[O-]

InChI

InChI=1S/C26H46N2O9/c1-23(2,3)35-20(30)12-15-26(16-13-21(31)36-24(4,5)6,17-14-22(32)37-25(7,8)9)27-19(29)11-10-18-28(33)34/h10-18H2,1-9H3,(H,27,29)