O1-azanyl O3-tert-butyl 2-[3-(5-nitropyridin-2-yl)prop-2-ynyl]propanedioate

Systemtic Name: O1-azanyl O3-tert-butyl 2-[3-(5-nitropyridin-2-yl)prop-2-ynyl]propanedioate Openeye Name: O1-amino O3-tert-butyl 2-[3-(5-nitro-2-pyridyl)prop-2-ynyl]propanedioate CAS Name: 2-[3-(5-nitro-2-pyridinyl)prop-2-ynyl]propanedioic acid O1-amino ester O3-tert-butyl ester IUPAC Name: 1-O-amino 3-O-tert-butyl 2-[3-(5-nitropyridin-2-yl)prop-2-ynyl]propanedioate Traditional Name: 2-[3-(5-nitro-2-pyridyl)prop-2-ynyl]malonic acid O1-amino ester O3-tert-butyl ester Formula: C15H17N3O6 MolecularWeight: 335.31198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O6/c1-15(2,3)23-13(19)12(14(20)24-16)6-4-5-10-7-8-11(9-17-10)18(21)22/h7-9,12H,6,16H2,1-3H3