methyl 4-[(E)-2-nitropent-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-2-nitropent-1-enyl]benzoate Openeye Name: methyl 4-[(E)-2-nitropent-1-enyl]benzoate CAS Name: 4-[(E)-2-nitropent-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-nitropent-1-enyl]benzoate Traditional Name: 4-[(E)-2-nitropent-1-enyl]benzoic acid methyl ester Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4/c1-3-4-12(14(16)17)9-10-5-7-11(8-6-10)13(15)18-2/h5-9H,3-4H2,1-2H3/b12-9+