methyl 4-(2-azanylidene-1,3-thiazolidin-3-yl)-3-nitro-benzoate hydrochloride

Systemtic Name: methyl 4-(2-azanylidene-1,3-thiazolidin-3-yl)-3-nitro-benzoate hydrochloride Openeye Name: methyl 4-(2-iminothiazolidin-3-yl)-3-nitro-benzoate hydrochloride CAS Name: 4-(2-imino-3-thiazolidinyl)-3-nitrobenzoic acid methyl ester hydrochloride IUPAC Name: methyl 4-(2-imino-1,3-thiazolidin-3-yl)-3-nitrobenzoate hydrochloride Traditional Name: 4-(2-iminothiazolidin-3-yl)-3-nitro-benzoic acid methyl ester hydrochloride Formula: C11H12ClN3O4S MolecularWeight: 317.74868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3O4S.ClH/c1-18-10(15)7-2-3-8(9(6-7)14(16)17)13-4-5-19-11(13)12;/h2-3,6,12H,4-5H2,1H3;1H