methyl 2-[bis(azanyl)methylideneamino]-5-(3-nitrophenyl)-1,3-thiazole-4-carboxylate

Systemtic Name: methyl 2-[bis(azanyl)methylideneamino]-5-(3-nitrophenyl)-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-guanidino-5-(3-nitrophenyl)thiazole-4-carboxylate CAS Name: 2-(diaminomethylideneamino)-5-(3-nitrophenyl)-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-(diaminomethylideneamino)-5-(3-nitrophenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-guanidino-5-(3-nitrophenyl)thiazole-4-carboxylic acid methyl ester Formula: C12H11N5O4S MolecularWeight: 321.31184

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=N1)N=C(N)N)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(SC(=N1)N=C(N)N)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N5O4S/c1-21-10(18)8-9(22-12(15-8)16-11(13)14)6-3-2-4-7(5-6)17(19)20/h2-5H,1H3,(H4,13,14,15,16)