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

Systemtic Name: N-[3-(2-azanyl-2-oxidanylidene-ethyl)-5-nitro-1,3-thiazol-2-ylidene]-2-methyl-benzamide Openeye Name: N-[3-(2-amino-2-oxo-ethyl)-5-nitro-thiazol-2-ylidene]-2-methyl-benzamide CAS Name: N-[3-(2-amino-2-oxoethyl)-5-nitro-2-thiazolylidene]-2-methylbenzamide IUPAC Name: N-[3-(2-amino-2-oxoethyl)-5-nitro-1,3-thiazol-2-ylidene]-2-methylbenzamide Traditional Name: N-[3-(2-amino-2-keto-ethyl)-5-nitro-4-thiazolin-2-ylidene]-2-methyl-benzamide Formula: C13H12N4O4S MolecularWeight: 320.32378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N=C2N(C=C(S2)[N+](=O)[O-])CC(=O)N

Isomeric SMILES

CC1=CC=CC=C1C(=O)N=C2N(C=C(S2)[N+](=O)[O-])CC(=O)N

InChI

InChI=1S/C13H12N4O4S/c1-8-4-2-3-5-9(8)12(19)15-13-16(6-10(14)18)7-11(22-13)17(20)21/h2-5,7H,6H2,1H3,(H2,14,18)