methyl (4S)-2-methyl-4-(5-nitrofuran-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: methyl (4S)-2-methyl-4-(5-nitrofuran-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: methyl (4S)-2-methyl-4-(5-nitro-2-furyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S)-2-methyl-4-(5-nitro-2-furanyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-2-methyl-4-(5-nitrofuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S)-5-keto-2-methyl-4-(5-nitro-2-furyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid methyl ester Formula: C16H16N2O6 MolecularWeight: 332.30804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC)C3=CC=C(O3)[N+](=O)[O-])C(=O)CCC2

Isomeric SMILES

CC1=NC2=C([C@H](C1C(=O)OC)C3=CC=C(O3)[N+](=O)[O-])C(=O)CCC2

InChI

InChI=1S/C16H16N2O6/c1-8-13(16(20)23-2)15(11-6-7-12(24-11)18(21)22)14-9(17-8)4-3-5-10(14)19/h6-7,13,15H,3-5H2,1-2H3/t13?,15-/m0/s1