nitro (2Z)-3-phenyl-2-(1,3-thiazinan-2-ylidene)propanoate

Systemtic Name: nitro (2Z)-3-phenyl-2-(1,3-thiazinan-2-ylidene)propanoate Openeye Name: nitro (2Z)-3-phenyl-2-(1,3-thiazinan-2-ylidene)propanoate CAS Name: (2Z)-3-phenyl-2-(1,3-thiazinan-2-ylidene)propanoic acid nitro ester IUPAC Name: nitro (2Z)-3-phenyl-2-(1,3-thiazinan-2-ylidene)propanoate Traditional Name: (2Z)-3-phenyl-2-(1,3-thiazinan-2-ylidene)propionic acid nitro ester Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=C(CC2=CC=CC=C2)C(=O)O[N+](=O)[O-])SC1

Isomeric SMILES

C1CN/C(=C(\CC2=CC=CC=C2)/C(=O)O[N+](=O)[O-])/SC1

InChI

InChI=1S/C13H14N2O4S/c16-13(19-15(17)18)11(12-14-7-4-8-20-12)9-10-5-2-1-3-6-10/h1-3,5-6,14H,4,7-9H2/b12-11-