N-[3-(2-azanyl-2-oxidanylidene-ethyl)-5-nitro-1,3-thiazol-2-ylidene]-2-nitro-benzamide

Systemtic Name: N-[3-(2-azanyl-2-oxidanylidene-ethyl)-5-nitro-1,3-thiazol-2-ylidene]-2-nitro-benzamide Openeye Name: N-[3-(2-amino-2-oxo-ethyl)-5-nitro-thiazol-2-ylidene]-2-nitro-benzamide CAS Name: N-[3-(2-amino-2-oxoethyl)-5-nitro-2-thiazolylidene]-2-nitrobenzamide IUPAC Name: N-[3-(2-amino-2-oxoethyl)-5-nitro-1,3-thiazol-2-ylidene]-2-nitrobenzamide Traditional Name: N-[3-(2-amino-2-keto-ethyl)-5-nitro-4-thiazolin-2-ylidene]-2-nitro-benzamide Formula: C12H9N5O6S MolecularWeight: 351.29476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)N=C2N(C=C(S2)[N+](=O)[O-])CC(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)N=C2N(C=C(S2)[N+](=O)[O-])CC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C12H9N5O6S/c13-9(18)5-15-6-10(17(22)23)24-12(15)14-11(19)7-3-1-2-4-8(7)16(20)21/h1-4,6H,5H2,(H2,13,18)