2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-nitropyridin-2-yl)propanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-nitropyridin-2-yl)propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-(5-nitro-2-pyridyl)propanoic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(5-nitro-2-pyridinyl)propanoic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-nitropyridin-2-yl)propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-(5-nitro-2-pyridyl)propionic acid Formula: C13H17N3O6 MolecularWeight: 311.29058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O6/c1-13(2,3)22-12(19)15-10(11(17)18)6-8-4-5-9(7-14-8)16(20)21/h4-5,7,10H,6H2,1-3H3,(H,15,19)(H,17,18)