methyl 4-[(E)-5-nitropent-4-enyl]benzoate

Systemtic Name: methyl 4-[(E)-5-nitropent-4-enyl]benzoate Openeye Name: methyl 4-[(E)-5-nitropent-4-enyl]benzoate CAS Name: 4-[(E)-5-nitropent-4-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-5-nitropent-4-enyl]benzoate Traditional Name: 4-[(E)-5-nitropent-4-enyl]benzoic acid methyl ester Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4/c1-18-13(15)12-8-6-11(7-9-12)5-3-2-4-10-14(16)17/h4,6-10H,2-3,5H2,1H3/b10-4+