N-[3-[1,1-bis(oxidanylidene)-1,2-thiazolidin-2-yl]-4-chloranyl-phenyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[3-[1,1-bis(oxidanylidene)-1,2-thiazolidin-2-yl]-4-chloranyl-phenyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methyl-3-nitro-benzamide CAS Name: N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[4-chloro-3-(1,1-diketo-1,2-thiazolidin-2-yl)phenyl]-2-methyl-3-nitro-benzamide Formula: C17H16ClN3O5S MolecularWeight: 409.84404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)Cl)N3CCCS3(=O)=O

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)Cl)N3CCCS3(=O)=O

InChI

InChI=1S/C17H16ClN3O5S/c1-11-13(4-2-5-15(11)21(23)24)17(22)19-12-6-7-14(18)16(10-12)20-8-3-9-27(20,25)26/h2,4-7,10H,3,8-9H2,1H3,(H,19,22)