ethyl 4-[(E)-5-nitropent-4-en-2-yl]benzoate

Systemtic Name: ethyl 4-[(E)-5-nitropent-4-en-2-yl]benzoate Openeye Name: ethyl 4-[(E)-1-methyl-4-nitro-but-3-enyl]benzoate CAS Name: 4-[(E)-5-nitropent-4-en-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-5-nitropent-4-en-2-yl]benzoate Traditional Name: 4-[(E)-1-methyl-4-nitro-but-3-enyl]benzoic acid ethyl ester Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO4/c1-3-19-14(16)13-8-6-12(7-9-13)11(2)5-4-10-15(17)18/h4,6-11H,3,5H2,1-2H3/b10-4+