methyl 4-(2-azanylidene-1,3-thiazolidin-3-yl)-3,5-dinitro-benzoate

Systemtic Name: methyl 4-(2-azanylidene-1,3-thiazolidin-3-yl)-3,5-dinitro-benzoate Openeye Name: methyl 4-(2-iminothiazolidin-3-yl)-3,5-dinitro-benzoate CAS Name: 4-(2-imino-3-thiazolidinyl)-3,5-dinitrobenzoic acid methyl ester IUPAC Name: methyl 4-(2-imino-1,3-thiazolidin-3-yl)-3,5-dinitrobenzoate Traditional Name: 4-(2-iminothiazolidin-3-yl)-3,5-dinitro-benzoic acid methyl ester Formula: C11H10N4O6S MolecularWeight: 326.2853

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])N2CCSC2=N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])N2CCSC2=N)[N+](=O)[O-]

InChI

InChI=1S/C11H10N4O6S/c1-21-10(16)6-4-7(14(17)18)9(8(5-6)15(19)20)13-2-3-22-11(13)12/h4-5,12H,2-3H2,1H3