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

Systemtic Name: 2-bromoethyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: 2-bromoethyl (2E)-2-[(3-nitrophenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoic acid 2-bromoethyl ester IUPAC Name: 2-bromoethyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(3-nitrophenyl)acrylic acid 2-bromoethyl ester Formula: C13H12BrNO5 MolecularWeight: 342.14208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12BrNO5/c1-9(16)12(13(17)20-6-5-14)8-10-3-2-4-11(7-10)15(18)19/h2-4,7-8H,5-6H2,1H3/b12-8+