N-[4-[(2-butyl-5-nitro-1-benzofuran-3-yl)carbonyl]phenyl]-3-(dibutylamino)propanamide

Systemtic Name: N-[4-[(2-butyl-5-nitro-1-benzofuran-3-yl)carbonyl]phenyl]-3-(dibutylamino)propanamide Openeye Name: N-[4-(2-butyl-5-nitro-benzofuran-3-carbonyl)phenyl]-3-(dibutylamino)propanamide CAS Name: N-[4-[(2-butyl-5-nitro-3-benzofuranyl)-oxomethyl]phenyl]-3-(dibutylamino)propanamide IUPAC Name: N-[4-(2-butyl-5-nitro-1-benzofuran-3-carbonyl)phenyl]-3-(dibutylamino)propanamide Traditional Name: N-[4-(2-butyl-5-nitro-benzofuran-3-carbonyl)phenyl]-3-(dibutylamino)propionamide Formula: C30H39N3O5 MolecularWeight: 521.64776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)NC(=O)CCN(CCCC)CCCC

Isomeric SMILES

CCCCC1=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)NC(=O)CCN(CCCC)CCCC

InChI

InChI=1S/C30H39N3O5/c1-4-7-10-27-29(25-21-24(33(36)37)15-16-26(25)38-27)30(35)22-11-13-23(14-12-22)31-28(34)17-20-32(18-8-5-2)19-9-6-3/h11-16,21H,4-10,17-20H2,1-3H3,(H,31,34)