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ethyl (E)-3-(5-nitro-2-oxidanyl-phenyl)but-2-enoate

ethyl (E)-3-(5-nitro-2-oxidanyl-phenyl)but-2-enoate

Systemtic Name:ethyl (E)-3-(5-nitro-2-oxidanyl-phenyl)but-2-enoate
Openeye Name:ethyl (E)-3-(2-hydroxy-5-nitro-phenyl)but-2-enoate
CAS Name:(E)-3-(2-hydroxy-5-nitrophenyl)-2-butenoic acid ethyl ester
IUPAC Name:ethyl (E)-3-(2-hydroxy-5-nitrophenyl)but-2-enoate
Traditional Name:(E)-3-(2-hydroxy-5-nitro-phenyl)but-2-enoic acid ethyl ester
Formula: C12H13NO5
MolecularWeight: 251.23532
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C12H13NO5/c1-3-18-12(15)6-8(2)10-7-9(13(16)17)4-5-11(10)14/h4-7,14H,3H2,1-2H3/b8-6+


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