N-[(4-ethoxyphenyl)-(4-oxidanylbutyl)carbamoyl]-3-nitro-benzamide

Systemtic Name: N-[(4-ethoxyphenyl)-(4-oxidanylbutyl)carbamoyl]-3-nitro-benzamide Openeye Name: N-[(4-ethoxyphenyl)-(4-hydroxybutyl)carbamoyl]-3-nitro-benzamide CAS Name: N-[[4-ethoxy-N-(4-hydroxybutyl)anilino]-oxomethyl]-3-nitrobenzamide IUPAC Name: N-[(4-ethoxyphenyl)-(4-hydroxybutyl)carbamoyl]-3-nitrobenzamide Traditional Name: N-[4-hydroxybutyl(p-phenetyl)carbamoyl]-3-nitro-benzamide Formula: C20H23N3O6 MolecularWeight: 401.41312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCCCO)C(=O)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCCCO)C(=O)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6/c1-2-29-18-10-8-16(9-11-18)22(12-3-4-13-24)20(26)21-19(25)15-6-5-7-17(14-15)23(27)28/h5-11,14,24H,2-4,12-13H2,1H3,(H,21,25,26)