methyl (6R)-8-(5-nitropyridin-2-yl)-2-oxidanylidene-8-azabicyclo[3.2.1]oct-3-ene-6-carboxylate

Systemtic Name: methyl (6R)-8-(5-nitropyridin-2-yl)-2-oxidanylidene-8-azabicyclo[3.2.1]oct-3-ene-6-carboxylate Openeye Name: methyl (6R)-8-(5-nitro-2-pyridyl)-2-oxo-8-azabicyclo[3.2.1]oct-3-ene-6-carboxylate CAS Name: (6R)-8-(5-nitro-2-pyridinyl)-2-oxo-8-azabicyclo[3.2.1]oct-3-ene-6-carboxylic acid methyl ester IUPAC Name: methyl (6R)-8-(5-nitropyridin-2-yl)-2-oxo-8-azabicyclo[3.2.1]oct-3-ene-6-carboxylate Traditional Name: (6R)-2-keto-8-(5-nitro-2-pyridyl)-8-azabicyclo[3.2.1]oct-3-ene-6-carboxylic acid methyl ester Formula: C14H13N3O5 MolecularWeight: 303.27012

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2C(=O)C=CC1N2C3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@@H]1CC2C(=O)C=CC1N2C3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O5/c1-22-14(19)9-6-11-12(18)4-3-10(9)16(11)13-5-2-8(7-15-13)17(20)21/h2-5,7,9-11H,6H2,1H3/t9-,10?,11?/m1/s1