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

Systemtic Name: methyl (3Z)-3-(nitromethylidene)-5-(phenylcarbamoylamino)-1,2-dithiole-4-carboxylate Openeye Name: methyl (3Z)-3-(nitromethylene)-5-(phenylcarbamoylamino)dithiole-4-carboxylate CAS Name: (5Z)-3-[[anilino(oxo)methyl]amino]-5-(nitromethylidene)-4-dithiolecarboxylic acid methyl ester IUPAC Name: methyl (3Z)-3-(nitromethylidene)-5-(phenylcarbamoylamino)dithiole-4-carboxylate Traditional Name: (3Z)-3-(nitromethylene)-5-(phenylcarbamoylamino)dithiole-4-carboxylic acid methyl ester Formula: C13H11N3O5S2 MolecularWeight: 353.37354

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SSC1=C[N+](=O)[O-])NC(=O)NC2=CC=CC=C2

Isomeric SMILES

COC(=O)C\1=C(SS/C1=C\[N+](=O)[O-])NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C13H11N3O5S2/c1-21-12(17)10-9(7-16(19)20)22-23-11(10)15-13(18)14-8-5-3-2-4-6-8/h2-7H,1H3,(H2,14,15,18)/b9-7-