1,3-benzodioxol-5-ylmethyl (2Z)-2-nitro-2-(1,3-thiazinan-2-ylidene)ethanoate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl (2Z)-2-nitro-2-(1,3-thiazinan-2-ylidene)ethanoate Openeye Name: 1,3-benzodioxol-5-ylmethyl (2Z)-2-nitro-2-(1,3-thiazinan-2-ylidene)acetate CAS Name: (2Z)-2-nitro-2-(1,3-thiazinan-2-ylidene)acetic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl (2Z)-2-nitro-2-(1,3-thiazinan-2-ylidene)acetate Traditional Name: (2Z)-2-nitro-2-(1,3-thiazinan-2-ylidene)acetic acid piperonyl ester Formula: C14H14N2O6S MolecularWeight: 338.33576

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=C(C(=O)OCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])SC1

Isomeric SMILES

C1CN/C(=C(\C(=O)OCC2=CC3=C(C=C2)OCO3)/[N+](=O)[O-])/SC1

InChI

InChI=1S/C14H14N2O6S/c17-14(12(16(18)19)13-15-4-1-5-23-13)20-7-9-2-3-10-11(6-9)22-8-21-10/h2-3,6,15H,1,4-5,7-8H2/b13-12-