ethyl 4-(5-methyl-3-nitro-2-oxidanyl-phenyl)-4-oxidanyl-2-oxidanylidene-but-3-enoate

Systemtic Name: ethyl 4-(5-methyl-3-nitro-2-oxidanyl-phenyl)-4-oxidanyl-2-oxidanylidene-but-3-enoate Openeye Name: ethyl 4-hydroxy-4-(2-hydroxy-5-methyl-3-nitro-phenyl)-2-oxo-but-3-enoate CAS Name: 4-hydroxy-4-(2-hydroxy-5-methyl-3-nitrophenyl)-2-oxo-3-butenoic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-4-(2-hydroxy-5-methyl-3-nitrophenyl)-2-oxobut-3-enoate Traditional Name: 4-hydroxy-4-(2-hydroxy-5-methyl-3-nitro-phenyl)-2-keto-but-3-enoic acid ethyl ester Formula: C13H13NO7 MolecularWeight: 295.24482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h4-6,15,17H,3H2,1-2H3