[(E)-2-nitro-3-phenyl-prop-2-enyl] dodecanoate

Systemtic Name: [(E)-2-nitro-3-phenyl-prop-2-enyl] dodecanoate Openeye Name: [(E)-2-nitro-3-phenyl-allyl] dodecanoate CAS Name: dodecanoic acid [(E)-2-nitro-3-phenylprop-2-enyl] ester IUPAC Name: [(E)-2-nitro-3-phenylprop-2-enyl] dodecanoate Traditional Name: lauric acid [(E)-2-nitro-3-phenyl-allyl] ester Formula: C21H31NO4 MolecularWeight: 361.47514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCC(=CC1=CC=CC=C1)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO4/c1-2-3-4-5-6-7-8-9-13-16-21(23)26-18-20(22(24)25)17-19-14-11-10-12-15-19/h10-12,14-15,17H,2-9,13,16,18H2,1H3/b20-17+