ethyl 4-(5-methyl-3-nitro-2-oxidanyl-phenyl)-2,4-bis(oxidanylidene)butanoate

Systemtic Name: ethyl 4-(5-methyl-3-nitro-2-oxidanyl-phenyl)-2,4-bis(oxidanylidene)butanoate Openeye Name: ethyl 4-(2-hydroxy-5-methyl-3-nitro-phenyl)-2,4-dioxo-butanoate CAS Name: 4-(2-hydroxy-5-methyl-3-nitrophenyl)-2,4-dioxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(2-hydroxy-5-methyl-3-nitrophenyl)-2,4-dioxobutanoate Traditional Name: 4-(2-hydroxy-5-methyl-3-nitro-phenyl)-2,4-diketo-butyric acid ethyl ester Formula: C13H13NO7 MolecularWeight: 295.24482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)CC(=O)C1=CC(=CC(=C1O)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C(=O)CC(=O)C1=CC(=CC(=C1O)[N+](=O)[O-])C

InChI

InChI=1S/C13H13NO7/c1-3-21-13(18)11(16)6-10(15)8-4-7(2)5-9(12(8)17)14(19)20/h4-5,17H,3,6H2,1-2H3