ethyl (1S,2R)-1-(4-nitrophenyl)-3-oxidanylidene-2,4-dihydro-1H-azulene-2-carboxylate

Systemtic Name: ethyl (1S,2R)-1-(4-nitrophenyl)-3-oxidanylidene-2,4-dihydro-1H-azulene-2-carboxylate Openeye Name: ethyl (1S,2R)-1-(4-nitrophenyl)-3-oxo-2,4-dihydro-1H-azulene-2-carboxylate CAS Name: (1S,2R)-1-(4-nitrophenyl)-3-oxo-2,4-dihydro-1H-azulene-2-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,2R)-1-(4-nitrophenyl)-3-oxo-2,4-dihydro-1H-azulene-2-carboxylate Traditional Name: (1S,2R)-3-keto-1-(4-nitrophenyl)-2,4-dihydro-1H-azulene-2-carboxylic acid ethyl ester Formula: C19H17NO5 MolecularWeight: 339.34198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(C1=O)CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](C2=C(C1=O)CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17NO5/c1-2-25-19(22)17-16(12-8-10-13(11-9-12)20(23)24)14-6-4-3-5-7-15(14)18(17)21/h3-6,8-11,16-17H,2,7H2,1H3/t16-,17+/m0/s1