N-[4-[(2-butyl-5-nitro-1-benzofuran-3-yl)carbonyl]phenyl]-4-(dibutylamino)butanamide; ethanedioic acid

Systemtic Name: N-[4-[(2-butyl-5-nitro-1-benzofuran-3-yl)carbonyl]phenyl]-4-(dibutylamino)butanamide; ethanedioic acid Openeye Name: N-[4-(2-butyl-5-nitro-benzofuran-3-carbonyl)phenyl]-4-(dibutylamino)butanamide; oxalic acid CAS Name: N-[4-[(2-butyl-5-nitro-3-benzofuranyl)-oxomethyl]phenyl]-4-(dibutylamino)butanamide; oxalic acid IUPAC Name: N-[4-(2-butyl-5-nitro-1-benzofuran-3-carbonyl)phenyl]-4-(dibutylamino)butanamide; oxalic acid Traditional Name: N-[4-(2-butyl-5-nitro-benzofuran-3-carbonyl)phenyl]-4-(dibutylamino)butyramide; oxalic acid Formula: C33H43N3O9 MolecularWeight: 625.70922

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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)CCCN(CCCC)CCCC.C(=O)(C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C31H41N3O5.C2H2O4/c1-4-7-11-28-30(26-22-25(34(37)38)17-18-27(26)39-28)31(36)23-13-15-24(16-14-23)32-29(35)12-10-21-33(19-8-5-2)20-9-6-3;3-1(4)2(5)6/h13-18,22H,4-12,19-21H2,1-3H3,(H,32,35);(H,3,4)(H,5,6)