N-[4-(2-azanyl-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]-3-methyl-2-nitro-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=NC(=CS2)CC(=O)N

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=NC(=CS2)CC(=O)N

InChI

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