methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-nitrophenyl)pent-4-ynoate hydrochloride

Systemtic Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-nitrophenyl)pent-4-ynoate hydrochloride Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-5-(4-nitrophenyl)pent-4-ynoate hydrochloride CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-(4-nitrophenyl)-4-pentynoic acid methyl ester hydrochloride IUPAC Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-nitrophenyl)pent-4-ynoate hydrochloride Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-5-(4-nitrophenyl)pent-4-ynoic acid methyl ester hydrochloride Formula: C17H21ClN2O6 MolecularWeight: 384.81144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC#CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OC.Cl

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC#CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OC.Cl

InChI

InChI=1S/C17H20N2O6.ClH/c1-17(2,3)25-16(21)18-14(15(20)24-4)7-5-6-12-8-10-13(11-9-12)19(22)23;/h8-11,14H,7H2,1-4H3,(H,18,21);1H/t14-;/m0./s1