[(2E,4E)-1-(6-nitro-1,3-benzodioxol-5-yl)hexa-2,4-dienyl] benzoate

Systemtic Name: [(2E,4E)-1-(6-nitro-1,3-benzodioxol-5-yl)hexa-2,4-dienyl] benzoate Openeye Name: [(2E,4E)-1-(6-nitro-1,3-benzodioxol-5-yl)hexa-2,4-dienyl] benzoate CAS Name: benzoic acid [(2E,4E)-1-(6-nitro-1,3-benzodioxol-5-yl)hexa-2,4-dienyl] ester IUPAC Name: [(2E,4E)-1-(6-nitro-1,3-benzodioxol-5-yl)hexa-2,4-dienyl] benzoate Traditional Name: benzoic acid [(2E,4E)-1-(6-nitro-1,3-benzodioxol-5-yl)hexa-2,4-dienyl] ester Formula: C20H17NO6 MolecularWeight: 367.35208

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC(C1=CC2=C(C=C1[N+](=O)[O-])OCO2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C/C=C/C=C/C(C1=CC2=C(C=C1[N+](=O)[O-])OCO2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H17NO6/c1-2-3-5-10-17(27-20(22)14-8-6-4-7-9-14)15-11-18-19(26-13-25-18)12-16(15)21(23)24/h2-12,17H,13H2,1H3/b3-2+,10-5+