1-methyl-4-nitro-benzene; N-oxidanyl-2-sulfanyl-ethanamide

Systemtic Name: 1-methyl-4-nitro-benzene; N-oxidanyl-2-sulfanyl-ethanamide Openeye Name: 1-methyl-4-nitro-benzene; 2-sulfanylethanehydroxamic acid CAS Name: N-hydroxy-2-mercaptoacetamide; 1-methyl-4-nitrobenzene IUPAC Name: N-hydroxy-2-sulfanylacetamide; 1-methyl-4-nitrobenzene Traditional Name: 2-mercaptoethanehydroxamic acid; 1-methyl-4-nitro-benzene Formula: C9H12N2O4S MolecularWeight: 244.26758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+](=O)[O-].C(C(=O)NO)S

Isomeric SMILES

CC1=CC=C(C=C1)[N+](=O)[O-].C(C(=O)NO)S

InChI

InChI=1S/C7H7NO2.C2H5NO2S/c1-6-2-4-7(5-3-6)8(9)10;4-2(1-6)3-5/h2-5H,1H3;5-6H,1H2,(H,3,4)