[1-chloranyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenyl-butan-2-yl] 4-nitrobenzoate

Systemtic Name: [1-chloranyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenyl-butan-2-yl] 4-nitrobenzoate Openeye Name: [2-(tert-butoxycarbonylamino)-1-(chloromethyl)-3-phenyl-propyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [1-chloro-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-phenylbutan-2-yl] ester IUPAC Name: [1-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutan-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(tert-butoxycarbonylamino)-1-(chloromethyl)-3-phenyl-propyl] ester Formula: C22H25ClN2O6 MolecularWeight: 448.8967

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(CCl)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(CCl)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H25ClN2O6/c1-22(2,3)31-21(27)24-18(13-15-7-5-4-6-8-15)19(14-23)30-20(26)16-9-11-17(12-10-16)25(28)29/h4-12,18-19H,13-14H2,1-3H3,(H,24,27)