N-[4-(2-azanyl-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]-2-(methylamino)-5-nitro-benzamide

Systemtic Name: N-[4-(2-azanyl-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]-2-(methylamino)-5-nitro-benzamide Openeye Name: N-[4-(2-amino-2-oxo-ethyl)thiazol-2-yl]-2-(methylamino)-5-nitro-benzamide CAS Name: N-[4-(2-amino-2-oxoethyl)-2-thiazolyl]-2-(methylamino)-5-nitrobenzamide IUPAC Name: N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(methylamino)-5-nitrobenzamide Traditional Name: N-[4-(2-amino-2-keto-ethyl)thiazol-2-yl]-2-(methylamino)-5-nitro-benzamide Formula: C13H13N5O4S MolecularWeight: 335.33842

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=NC(=CS2)CC(=O)N

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=NC(=CS2)CC(=O)N

InChI

InChI=1S/C13H13N5O4S/c1-15-10-3-2-8(18(21)22)5-9(10)12(20)17-13-16-7(6-23-13)4-11(14)19/h2-3,5-6,15H,4H2,1H3,(H2,14,19)(H,16,17,20)