(phenylmethyl) 4-[(E)-6-ethoxy-6-oxidanylidene-hex-4-enyl]-3-nitro-benzoate

Systemtic Name: (phenylmethyl) 4-[(E)-6-ethoxy-6-oxidanylidene-hex-4-enyl]-3-nitro-benzoate Openeye Name: benzyl 4-[(E)-6-ethoxy-6-oxo-hex-4-enyl]-3-nitro-benzoate CAS Name: 4-[(E)-6-ethoxy-6-oxohex-4-enyl]-3-nitrobenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(E)-6-ethoxy-6-oxohex-4-enyl]-3-nitrobenzoate Traditional Name: 4-[(E)-6-ethoxy-6-keto-hex-4-enyl]-3-nitro-benzoic acid benzyl ester Formula: C22H23NO6 MolecularWeight: 397.42112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCCCC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)/C=C/CCCC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H23NO6/c1-2-28-21(24)12-8-4-7-11-18-13-14-19(15-20(18)23(26)27)22(25)29-16-17-9-5-3-6-10-17/h3,5-6,8-10,12-15H,2,4,7,11,16H2,1H3/b12-8+