2-bromoethyl (E)-3-(3-nitrophenyl)-4-oxidanylidene-pent-2-enoate

Systemtic Name: 2-bromoethyl (E)-3-(3-nitrophenyl)-4-oxidanylidene-pent-2-enoate Openeye Name: 2-bromoethyl (E)-3-(3-nitrophenyl)-4-oxo-pent-2-enoate CAS Name: (E)-3-(3-nitrophenyl)-4-oxo-2-pentenoic acid 2-bromoethyl ester IUPAC Name: 2-bromoethyl (E)-3-(3-nitrophenyl)-4-oxopent-2-enoate Traditional Name: (E)-4-keto-3-(3-nitrophenyl)pent-2-enoic acid 2-bromoethyl ester Formula: C13H12BrNO5 MolecularWeight: 342.14208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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