ethyl (3S,4R)-4-(furan-2-yl)-6-nitro-2-oxidanylidene-3,4-dihydrochromene-3-carboxylate

Systemtic Name: ethyl (3S,4R)-4-(furan-2-yl)-6-nitro-2-oxidanylidene-3,4-dihydrochromene-3-carboxylate Openeye Name: ethyl (3S,4R)-4-(2-furyl)-6-nitro-2-oxo-chromane-3-carboxylate CAS Name: (3S,4R)-4-(2-furanyl)-6-nitro-2-oxo-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3S,4R)-4-(furan-2-yl)-6-nitro-2-oxo-3,4-dihydrochromene-3-carboxylate Traditional Name: (3S,4R)-4-(2-furyl)-2-keto-6-nitro-chroman-3-carboxylic acid ethyl ester Formula: C16H13NO7 MolecularWeight: 331.27692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(C=CC(=C2)[N+](=O)[O-])OC1=O)C3=CC=CO3

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](C2=C(C=CC(=C2)[N+](=O)[O-])OC1=O)C3=CC=CO3

InChI

InChI=1S/C16H13NO7/c1-2-22-15(18)14-13(12-4-3-7-23-12)10-8-9(17(20)21)5-6-11(10)24-16(14)19/h3-8,13-14H,2H2,1H3/t13-,14+/m1/s1