pyridin-2-yl 2-(2,2-dimethylpropanoyloxyamino)-5-nitro-pent-4-ynoate

Systemtic Name: pyridin-2-yl 2-(2,2-dimethylpropanoyloxyamino)-5-nitro-pent-4-ynoate Openeye Name: 2-pyridyl 2-(2,2-dimethylpropanoyloxyamino)-5-nitro-pent-4-ynoate CAS Name: 2-[(2,2-dimethyl-1-oxopropoxy)amino]-5-nitro-4-pentynoic acid 2-pyridinyl ester IUPAC Name: pyridin-2-yl 2-(2,2-dimethylpropanoyloxyamino)-5-nitropent-4-ynoate Traditional Name: 5-nitro-2-(pivaloyloxyamino)pent-4-ynoic acid 2-pyridyl ester Formula: C15H17N3O6 MolecularWeight: 335.31198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)ONC(CC#C[N+](=O)[O-])C(=O)OC1=CC=CC=N1

Isomeric SMILES

CC(C)(C)C(=O)ONC(CC#C[N+](=O)[O-])C(=O)OC1=CC=CC=N1

InChI

InChI=1S/C15H17N3O6/c1-15(2,3)14(20)24-17-11(7-6-10-18(21)22)13(19)23-12-8-4-5-9-16-12/h4-5,8-9,11,17H,7H2,1-3H3