4-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-3-nitro-benzamide

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-3-nitro-benzamide Openeye Name: 4-(2-amino-2-oxo-ethyl)sulfanyl-3-nitro-benzamide CAS Name: 4-[(2-amino-2-oxoethyl)thio]-3-nitrobenzamide IUPAC Name: 4-(2-amino-2-oxoethyl)sulfanyl-3-nitrobenzamide Traditional Name: 4-[(2-amino-2-keto-ethyl)thio]-3-nitro-benzamide Formula: C9H9N3O4S MolecularWeight: 255.25046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])SCC(=O)N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])SCC(=O)N

InChI

InChI=1S/C9H9N3O4S/c10-8(13)4-17-7-2-1-5(9(11)14)3-6(7)12(15)16/h1-3H,4H2,(H2,10,13)(H2,11,14)