4-[2-[2-(4-chloranylphenoxy)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[2-(4-chloranylphenoxy)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[2-(4-chlorophenoxy)ethylamino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C17H16ClN3O5S MolecularWeight: 409.84404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCNC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1OCCNC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H16ClN3O5S/c18-12-2-4-13(5-3-12)26-8-7-20-16(22)10-27-15-6-1-11(17(19)23)9-14(15)21(24)25/h1-6,9H,7-8,10H2,(H2,19,23)(H,20,22)