ethyl 5-nitro-4-sulfanylidene-cyclohexa-1,5-diene-1-carboxylate

Systemtic Name: ethyl 5-nitro-4-sulfanylidene-cyclohexa-1,5-diene-1-carboxylate Openeye Name: ethyl 5-nitro-4-thioxo-cyclohexa-1,5-diene-1-carboxylate CAS Name: 5-nitro-4-sulfanylidene-1-cyclohexa-1,5-dienecarboxylic acid ethyl ester IUPAC Name: ethyl 5-nitro-4-sulfanylidenecyclohexa-1,5-diene-1-carboxylate Traditional Name: 5-nitro-4-thioxo-cyclohexa-1,5-diene-1-carboxylic acid ethyl ester Formula: C9H9NO4S MolecularWeight: 227.23706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CCC(=S)C(=C1)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CCC(=S)C(=C1)[N+](=O)[O-]

InChI

InChI=1S/C9H9NO4S/c1-2-14-9(11)6-3-4-8(15)7(5-6)10(12)13/h3,5H,2,4H2,1H3