ethyl (6R)-8-[(E)-3-(2-chloranyl-5-nitro-phenyl)-3-oxidanylidene-prop-1-enyl]-2-oxidanylidene-8-azabicyclo[3.2.1]oct-3-ene-6-carboxylate

Systemtic Name: ethyl (6R)-8-[(E)-3-(2-chloranyl-5-nitro-phenyl)-3-oxidanylidene-prop-1-enyl]-2-oxidanylidene-8-azabicyclo[3.2.1]oct-3-ene-6-carboxylate Openeye Name: ethyl (6R)-8-[(E)-3-(2-chloro-5-nitro-phenyl)-3-oxo-prop-1-enyl]-2-oxo-8-azabicyclo[3.2.1]oct-3-ene-6-carboxylate CAS Name: (6R)-8-[(E)-3-(2-chloro-5-nitrophenyl)-3-oxoprop-1-enyl]-2-oxo-8-azabicyclo[3.2.1]oct-3-ene-6-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-8-[(E)-3-(2-chloro-5-nitrophenyl)-3-oxoprop-1-enyl]-2-oxo-8-azabicyclo[3.2.1]oct-3-ene-6-carboxylate Traditional Name: (6R)-8-[(E)-3-(2-chloro-5-nitro-phenyl)-3-keto-prop-1-enyl]-2-keto-8-azabicyclo[3.2.1]oct-3-ene-6-carboxylic acid ethyl ester Formula: C19H17ClN2O6 MolecularWeight: 404.80108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2C(=O)C=CC1N2C=CC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)[C@@H]1CC2C(=O)C=CC1N2/C=C/C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H17ClN2O6/c1-2-28-19(25)13-10-16-18(24)6-5-15(13)21(16)8-7-17(23)12-9-11(22(26)27)3-4-14(12)20/h3-9,13,15-16H,2,10H2,1H3/b8-7+/t13-,15?,16?/m1/s1