ethyl (4R,4aR)-2-methyl-4-(5-nitrofuran-2-yl)-5-oxidanylidene-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylate

Systemtic Name: ethyl (4R,4aR)-2-methyl-4-(5-nitrofuran-2-yl)-5-oxidanylidene-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylate Openeye Name: ethyl (4R,4aR)-2-methyl-4-(5-nitro-2-furyl)-5-oxo-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylate CAS Name: (4R,4aR)-2-methyl-4-(5-nitro-2-furanyl)-5-oxo-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,4aR)-2-methyl-4-(5-nitrofuran-2-yl)-5-oxo-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylate Traditional Name: (4R,4aR)-5-keto-2-methyl-4-(5-nitro-2-furyl)-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylic acid ethyl ester Formula: C20H16N2O6 MolecularWeight: 380.35084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2C(C1C3=CC=C(O3)[N+](=O)[O-])C(=O)C4=CC=CC=C42)C

Isomeric SMILES

CCOC(=O)C1=C(N=C2[C@@H]([C@H]1C3=CC=C(O3)[N+](=O)[O-])C(=O)C4=CC=CC=C42)C

InChI

InChI=1S/C20H16N2O6/c1-3-27-20(24)15-10(2)21-18-11-6-4-5-7-12(11)19(23)17(18)16(15)13-8-9-14(28-13)22(25)26/h4-9,16-17H,3H2,1-2H3/t16-,17+/m0/s1