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

Systemtic Name: N-[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-4-chloranyl-N-(4-methoxyphenyl)-3-nitro-benzamide Openeye Name: 4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)-3-nitro-benzamide CAS Name: 4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)-3-nitrobenzamide IUPAC Name: 4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)-3-nitrobenzamide Traditional Name: 4-chloro-N-(1,1-diketo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)-3-nitro-benzamide Formula: C18H15ClN2O6S MolecularWeight: 422.8395

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClN2O6S/c1-27-15-5-3-13(4-6-15)20(14-8-9-28(25,26)11-14)18(22)12-2-7-16(19)17(10-12)21(23)24/h2-10,14H,11H2,1H3