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

Systemtic Name: N-[4-[(2-butyl-5-nitro-1-benzofuran-3-yl)carbonyl]phenyl]-3-(dibutylamino)propanamide; ethanedioic acid Openeye Name: N-[4-(2-butyl-5-nitro-benzofuran-3-carbonyl)phenyl]-3-(dibutylamino)propanamide; oxalic acid CAS Name: N-[4-[(2-butyl-5-nitro-3-benzofuranyl)-oxomethyl]phenyl]-3-(dibutylamino)propanamide; oxalic acid IUPAC Name: N-[4-(2-butyl-5-nitro-1-benzofuran-3-carbonyl)phenyl]-3-(dibutylamino)propanamide; oxalic acid Traditional Name: N-[4-(2-butyl-5-nitro-benzofuran-3-carbonyl)phenyl]-3-(dibutylamino)propionamide; oxalic acid Formula: C32H41N3O9 MolecularWeight: 611.68264

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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)CCN(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)CCN(CCCC)CCCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C30H39N3O5.C2H2O4/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;3-1(4)2(5)6/h11-16,21H,4-10,17-20H2,1-3H3,(H,31,34);(H,3,4)(H,5,6)