N-(4,5-dimethyl-2-nitro-phenyl)-2-(oxolan-2-ylmethylamino)ethanamide; ethanedioic acid

Systemtic Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-(oxolan-2-ylmethylamino)ethanamide; ethanedioic acid Openeye Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-(tetrahydrofuran-2-ylmethylamino)acetamide; oxalic acid CAS Name: N-(4,5-dimethyl-2-nitrophenyl)-2-(2-oxolanylmethylamino)acetamide; oxalic acid IUPAC Name: N-(4,5-dimethyl-2-nitrophenyl)-2-(oxolan-2-ylmethylamino)acetamide; oxalic acid Traditional Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-(tetrahydrofurfurylamino)acetamide; oxalic acid Formula: C17H23N3O8 MolecularWeight: 397.37982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CNCC2CCCO2.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CNCC2CCCO2.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H21N3O4.C2H2O4/c1-10-6-13(14(18(20)21)7-11(10)2)17-15(19)9-16-8-12-4-3-5-22-12;3-1(4)2(5)6/h6-7,12,16H,3-5,8-9H2,1-2H3,(H,17,19);(H,3,4)(H,5,6)