methyl (5Z)-3-azanyl-5-(nitromethylidene)-1,2-dithiole-4-carboxylate

Systemtic Name: methyl (5Z)-3-azanyl-5-(nitromethylidene)-1,2-dithiole-4-carboxylate Openeye Name: methyl (5Z)-3-amino-5-(nitromethylene)dithiole-4-carboxylate CAS Name: (5Z)-3-amino-5-(nitromethylidene)-4-dithiolecarboxylic acid methyl ester IUPAC Name: methyl (5Z)-3-amino-5-(nitromethylidene)dithiole-4-carboxylate Traditional Name: (5Z)-3-amino-5-(nitromethylene)dithiole-4-carboxylic acid methyl ester Formula: C6H6N2O4S2 MolecularWeight: 234.25284

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SSC1=C[N+](=O)[O-])N

Isomeric SMILES

COC(=O)C\1=C(SS/C1=C\[N+](=O)[O-])N

InChI

InChI=1S/C6H6N2O4S2/c1-12-6(9)4-3(2-8(10)11)13-14-5(4)7/h2H,7H2,1H3/b3-2-