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

Systemtic Name: methyl 3-[2-(2-methylprop-1-enyl)phenyl]-4-nitro-butanoate Openeye Name: methyl 3-[2-(2-methylprop-1-enyl)phenyl]-4-nitro-butanoate CAS Name: 3-[2-(2-methylprop-1-enyl)phenyl]-4-nitrobutanoic acid methyl ester IUPAC Name: methyl 3-[2-(2-methylprop-1-enyl)phenyl]-4-nitrobutanoate Traditional Name: 3-[2-(2-methylprop-1-enyl)phenyl]-4-nitro-butyric acid methyl ester Formula: C15H19NO4 MolecularWeight: 277.31566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO4/c1-11(2)8-12-6-4-5-7-14(12)13(10-16(18)19)9-15(17)20-3/h4-8,13H,9-10H2,1-3H3