N-[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-4-chloranyl-3-nitro-N-phenethyl-benzamide

Systemtic Name: N-[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-4-chloranyl-3-nitro-N-phenethyl-benzamide Openeye Name: 4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-nitro-N-phenethyl-benzamide CAS Name: 4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-nitro-N-phenethylbenzamide IUPAC Name: 4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-nitro-N-phenethylbenzamide Traditional Name: 4-chloro-N-(1,1-diketo-2,3-dihydrothiophen-3-yl)-3-nitro-N-phenethyl-benzamide Formula: C19H17ClN2O5S MolecularWeight: 420.86668

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CS1(=O)=O)N(CCC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C(C=CS1(=O)=O)N(CCC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H17ClN2O5S/c20-17-7-6-15(12-18(17)22(24)25)19(23)21(16-9-11-28(26,27)13-16)10-8-14-4-2-1-3-5-14/h1-7,9,11-12,16H,8,10,13H2