[2-(azocan-1-yl)-2-oxidanylidene-ethyl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C19H22N2O7 MolecularWeight: 390.38718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)COC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

C1CCCN(CCC1)C(=O)COC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C19H22N2O7/c22-18(20-8-4-2-1-3-5-9-20)12-26-19(23)7-6-14-10-16-17(28-13-27-16)11-15(14)21(24)25/h6-7,10-11H,1-5,8-9,12-13H2/b7-6+