ethyl (2E)-2-[(2-nitrophenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: ethyl (2E)-2-[(2-nitrophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: ethyl (2E)-2-[(2-nitrophenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(2-nitrophenyl)methylidene]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl (2E)-2-[(2-nitrophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(2-nitrophenyl)acrylic acid ethyl ester Formula: C13H13NO5 MolecularWeight: 263.24602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO5/c1-3-19-13(16)11(9(2)15)8-10-6-4-5-7-12(10)14(17)18/h4-8H,3H2,1-2H3/b11-8+