2-methoxyethyl (2E)-2-[(3-nitro-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl (2E)-2-[(3-nitro-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl (2E)-2-[(4-hydroxy-3-nitro-phenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]-3-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(4-hydroxy-3-nitro-phenyl)acrylic acid 2-methoxyethyl ester Formula: C14H15NO7 MolecularWeight: 309.2714

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC(=C(C=C1)O)[N+](=O)[O-])C(=O)OCCOC

Isomeric SMILES

CC(=O)/C(=C\C1=CC(=C(C=C1)O)[N+](=O)[O-])/C(=O)OCCOC

InChI

InChI=1S/C14H15NO7/c1-9(16)11(14(18)22-6-5-21-2)7-10-3-4-13(17)12(8-10)15(19)20/h3-4,7-8,17H,5-6H2,1-2H3/b11-7+