ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(3-nitrophenyl)-3-oxidanyl-pentanoate

Systemtic Name: ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(3-nitrophenyl)-3-oxidanyl-pentanoate Openeye Name: ethyl 4-(tert-butoxycarbonylamino)-3-hydroxy-5-(3-nitrophenyl)pentanoate CAS Name: 3-hydroxy-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-(3-nitrophenyl)pentanoic acid ethyl ester IUPAC Name: ethyl 3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(3-nitrophenyl)pentanoate Traditional Name: 4-(tert-butoxycarbonylamino)-3-hydroxy-5-(3-nitrophenyl)valeric acid ethyl ester Formula: C18H26N2O7 MolecularWeight: 382.40824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O7/c1-5-26-16(22)11-15(21)14(19-17(23)27-18(2,3)4)10-12-7-6-8-13(9-12)20(24)25/h6-9,14-15,21H,5,10-11H2,1-4H3,(H,19,23)