ethyl 5-[3-(4-nitrophenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: ethyl 5-[3-(4-nitrophenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 5-[2-hydroxy-3-(4-nitrophenoxy)propoxy]-4-oxo-chromene-2-carboxylate CAS Name: 5-[2-hydroxy-3-(4-nitrophenoxy)propoxy]-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-hydroxy-3-(4-nitrophenoxy)propoxy]-4-oxochromene-2-carboxylate Traditional Name: 5-[2-hydroxy-3-(4-nitrophenoxy)propoxy]-4-keto-chromene-2-carboxylic acid ethyl ester Formula: C21H19NO9 MolecularWeight: 429.37686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=O)C2=C(O1)C=CC=C2OCC(COC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CCOC(=O)C1=CC(=O)C2=C(O1)C=CC=C2OCC(COC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H19NO9/c1-2-28-21(25)19-10-16(24)20-17(4-3-5-18(20)31-19)30-12-14(23)11-29-15-8-6-13(7-9-15)22(26)27/h3-10,14,23H,2,11-12H2,1H3