methyl 4-nitro-3-[2-[(E)-prop-1-enyl]phenyl]butanoate

Systemtic Name: methyl 4-nitro-3-[2-[(E)-prop-1-enyl]phenyl]butanoate Openeye Name: methyl 4-nitro-3-[2-[(E)-prop-1-enyl]phenyl]butanoate CAS Name: 4-nitro-3-[2-[(E)-prop-1-enyl]phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-nitro-3-[2-[(E)-prop-1-enyl]phenyl]butanoate Traditional Name: 4-nitro-3-[2-[(E)-prop-1-enyl]phenyl]butyric acid methyl ester Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=CC=CC=C1C(CC(=O)OC)C[N+](=O)[O-]

Isomeric SMILES

C/C=C/C1=CC=CC=C1C(CC(=O)OC)C[N+](=O)[O-]

InChI

InChI=1S/C14H17NO4/c1-3-6-11-7-4-5-8-13(11)12(10-15(17)18)9-14(16)19-2/h3-8,12H,9-10H2,1-2H3/b6-3+