methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(5-nitropyridin-2-yl)phenyl]propanoate

Systemtic Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(5-nitropyridin-2-yl)phenyl]propanoate Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-3-[4-(5-nitro-2-pyridyl)phenyl]propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[4-(5-nitro-2-pyridinyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(5-nitropyridin-2-yl)phenyl]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-[4-(5-nitro-2-pyridyl)phenyl]propionic acid methyl ester Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O6/c1-20(2,3)29-19(25)22-17(18(24)28-4)11-13-5-7-14(8-6-13)16-10-9-15(12-21-16)23(26)27/h5-10,12,17H,11H2,1-4H3,(H,22,25)/t17-/m0/s1