phenethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitro-benzenesulfonate

Systemtic Name: phenethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitro-benzenesulfonate Openeye Name: phenethyl 4-(tert-butoxycarbonylamino)-3-nitro-benzenesulfonate CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-nitrobenzenesulfonic acid phenethyl ester IUPAC Name: phenethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrobenzenesulfonate Traditional Name: 4-(tert-butoxycarbonylamino)-3-nitro-benzenesulfonic acid phenethyl ester Formula: C19H22N2O7S MolecularWeight: 422.45218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C=C(C=C1)S(=O)(=O)OCCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C=C(C=C1)S(=O)(=O)OCCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H22N2O7S/c1-19(2,3)28-18(22)20-16-10-9-15(13-17(16)21(23)24)29(25,26)27-12-11-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H,20,22)