nitro (2E)-2-(1,3-thiazinan-2-ylidene)butanoate

Systemtic Name: nitro (2E)-2-(1,3-thiazinan-2-ylidene)butanoate Openeye Name: nitro (2E)-2-(1,3-thiazinan-2-ylidene)butanoate CAS Name: (2E)-2-(1,3-thiazinan-2-ylidene)butanoic acid nitro ester IUPAC Name: nitro (2E)-2-(1,3-thiazinan-2-ylidene)butanoate Traditional Name: (2E)-2-(1,3-thiazinan-2-ylidene)butyric acid nitro ester Formula: C8H12N2O4S MolecularWeight: 232.25688

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1NCCCS1)C(=O)O[N+](=O)[O-]

Isomeric SMILES

CC/C(=C\1/NCCCS1)/C(=O)O[N+](=O)[O-]

InChI

InChI=1S/C8H12N2O4S/c1-2-6(8(11)14-10(12)13)7-9-4-3-5-15-7/h9H,2-5H2,1H3/b7-6+