N-(2-methyl-4-nitro-phenyl)-2-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pentanamide

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-2-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pentanamide Openeye Name: N-(2-methyl-4-nitro-phenyl)-2-[2-(2-nitroanilino)-2-oxo-ethyl]sulfanyl-pentanamide CAS Name: N-(2-methyl-4-nitrophenyl)-2-[[2-(2-nitroanilino)-2-oxoethyl]thio]pentanamide IUPAC Name: N-(2-methyl-4-nitrophenyl)-2-[2-(2-nitroanilino)-2-oxoethyl]sulfanylpentanamide Traditional Name: 2-[[2-keto-2-(2-nitroanilino)ethyl]thio]-N-(2-methyl-4-nitro-phenyl)valeramide Formula: C20H22N4O6S MolecularWeight: 446.47688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C)SCC(=O)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C)SCC(=O)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O6S/c1-3-6-18(20(26)22-15-10-9-14(23(27)28)11-13(15)2)31-12-19(25)21-16-7-4-5-8-17(16)24(29)30/h4-5,7-11,18H,3,6,12H2,1-2H3,(H,21,25)(H,22,26)