N-(2-cyclopentylsulfanylphenyl)-4-methoxy-3-nitro-benzamide

Systemtic Name: N-(2-cyclopentylsulfanylphenyl)-4-methoxy-3-nitro-benzamide Openeye Name: N-(2-cyclopentylsulfanylphenyl)-4-methoxy-3-nitro-benzamide CAS Name: N-[2-(cyclopentylthio)phenyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-(2-cyclopentylsulfanylphenyl)-4-methoxy-3-nitrobenzamide Traditional Name: N-[2-(cyclopentylthio)phenyl]-4-methoxy-3-nitro-benzamide Formula: C19H20N2O4S MolecularWeight: 372.4381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2SC3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2SC3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O4S/c1-25-17-11-10-13(12-16(17)21(23)24)19(22)20-15-8-4-5-9-18(15)26-14-6-2-3-7-14/h4-5,8-12,14H,2-3,6-7H2,1H3,(H,20,22)