ethyl 2-[(3-nitrophenyl)-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-[(3-nitrophenyl)-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[(2-hydroxy-4-oxo-chromen-3-yl)-(3-nitrophenyl)methyl]-3-oxo-butanoate CAS Name: 2-[(2-hydroxy-4-oxo-1-benzopyran-3-yl)-(3-nitrophenyl)methyl]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[(2-hydroxy-4-oxochromen-3-yl)-(3-nitrophenyl)methyl]-3-oxobutanoate Traditional Name: 2-[(2-hydroxy-4-keto-chromen-3-yl)-(3-nitrophenyl)methyl]-3-keto-butyric acid ethyl ester Formula: C22H19NO8 MolecularWeight: 425.38816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC(=CC=C1)[N+](=O)[O-])C2=C(OC3=CC=CC=C3C2=O)O)C(=O)C

Isomeric SMILES

CCOC(=O)C(C(C1=CC(=CC=C1)[N+](=O)[O-])C2=C(OC3=CC=CC=C3C2=O)O)C(=O)C

InChI

InChI=1S/C22H19NO8/c1-3-30-21(26)17(12(2)24)18(13-7-6-8-14(11-13)23(28)29)19-20(25)15-9-4-5-10-16(15)31-22(19)27/h4-11,17-18,27H,3H2,1-2H3