ethyl (4S)-2-azanyl-4-(2-chloranyl-4-nitro-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate

Systemtic Name: ethyl (4S)-2-azanyl-4-(2-chloranyl-4-nitro-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: ethyl (4S)-2-amino-4-(2-chloro-4-nitro-phenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate CAS Name: (4S)-2-amino-4-(2-chloro-4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-amino-4-(2-chloro-4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate Traditional Name: (4S)-2-amino-4-(2-chloro-4-nitro-phenyl)-5-keto-4,6,7,8-tetrahydrochromene-3-carboxylic acid ethyl ester Formula: C18H17ClN2O6 MolecularWeight: 392.79038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=C(C=C(C=C3)[N+](=O)[O-])Cl)C(=O)CCC2)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C([C@@H]1C3=C(C=C(C=C3)[N+](=O)[O-])Cl)C(=O)CCC2)N

InChI

InChI=1S/C18H17ClN2O6/c1-2-26-18(23)16-14(10-7-6-9(21(24)25)8-11(10)19)15-12(22)4-3-5-13(15)27-17(16)20/h6-8,14H,2-5,20H2,1H3/t14-/m0/s1