N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-2-chloranyl-4-nitro-benzamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-2-chloranyl-4-nitro-benzamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-2-chloro-4-nitro-benzamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-2-chloro-4-nitrobenzamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-chloro-4-nitrobenzamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-2-chloro-4-nitro-benzamide Formula: C15H12ClN3O4S MolecularWeight: 365.79148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)SCC(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)SCC(=O)N

InChI

InChI=1S/C15H12ClN3O4S/c16-11-7-9(19(22)23)5-6-10(11)15(21)18-12-3-1-2-4-13(12)24-8-14(17)20/h1-7H,8H2,(H2,17,20)(H,18,21)