ethyl (4R)-2-azanyl-4-(2-nitrophenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate

Systemtic Name: ethyl (4R)-2-azanyl-4-(2-nitrophenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: ethyl (4R)-2-amino-4-(2-nitrophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate CAS Name: (4R)-2-amino-4-(2-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-2-amino-4-(2-nitrophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate Traditional Name: (4R)-2-amino-5-keto-4-(2-nitrophenyl)-4,6,7,8-tetrahydrochromene-3-carboxylic acid ethyl ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O6/c1-2-25-18(22)16-14(10-6-3-4-7-11(10)20(23)24)15-12(21)8-5-9-13(15)26-17(16)19/h3-4,6-7,14H,2,5,8-9,19H2,1H3/t14-/m1/s1