methyl 3-azanylidene-5-[(E)-C-nitro-N-[(4-nitrophenyl)amino]carbonimidoyl]-1,2-dithiole-4-carboxylate

Systemtic Name: methyl 3-azanylidene-5-[(E)-C-nitro-N-[(4-nitrophenyl)amino]carbonimidoyl]-1,2-dithiole-4-carboxylate Openeye Name: methyl 3-imino-5-[(E)-C-nitro-N-(4-nitroanilino)carbonimidoyl]dithiole-4-carboxylate CAS Name: 3-imino-5-[(E)-nitro-[(4-nitrophenyl)hydrazinylidene]methyl]-4-dithiolecarboxylic acid methyl ester IUPAC Name: methyl 3-imino-5-[(E)-C-nitro-N-(4-nitroanilino)carbonimidoyl]dithiole-4-carboxylate Traditional Name: 3-imino-5-[(E)-C-nitro-N-(4-nitroanilino)carbonimidoyl]dithiole-4-carboxylic acid methyl ester Formula: C12H9N5O6S2 MolecularWeight: 383.35976

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SSC1=N)C(=NNC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H9N5O6S2/c1-23-12(18)8-9(24-25-10(8)13)11(17(21)22)15-14-6-2-4-7(5-3-6)16(19)20/h2-5,13-14H,1H3/b13-10?,15-11+