ethanedioic acid; N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-(oxolan-2-ylmethylamino)ethanamide

Systemtic Name: ethanedioic acid; N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-(oxolan-2-ylmethylamino)ethanamide Openeye Name: N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-(tetrahydrofuran-2-ylmethylamino)acetamide; oxalic acid CAS Name: N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(2-oxolanylmethylamino)acetamide; oxalic acid IUPAC Name: N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(oxolan-2-ylmethylamino)acetamide; oxalic acid Traditional Name: N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-(tetrahydrofurfurylamino)acetamide; oxalic acid Formula: C17H23N3O9 MolecularWeight: 413.37922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)CNCC2CCCO2)OC)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)CNCC2CCCO2)OC)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C15H21N3O5.C2H2O4/c1-10-6-13(18(20)21)14(22-2)7-12(10)17-15(19)9-16-8-11-4-3-5-23-11;3-1(4)2(5)6/h6-7,11,16H,3-5,8-9H2,1-2H3,(H,17,19);(H,3,4)(H,5,6)