2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-(4-methyl-2-nitro-phenyl)-2-phenyl-ethanamide; ethanedioic acid

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-(4-methyl-2-nitro-phenyl)-2-phenyl-ethanamide; ethanedioic acid Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-(4-methyl-2-nitro-phenyl)-2-phenyl-acetamide; oxalic acid CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide; oxalic acid IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide; oxalic acid Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-(4-methyl-2-nitro-phenyl)-2-phenyl-acetamide; oxalic acid Formula: C26H25N3O9 MolecularWeight: 523.4914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)NCC3COC4=CC=CC=C4O3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)NCC3COC4=CC=CC=C4O3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C24H23N3O5.C2H2O4/c1-16-11-12-19(20(13-16)27(29)30)26-24(28)23(17-7-3-2-4-8-17)25-14-18-15-31-21-9-5-6-10-22(21)32-18;3-1(4)2(5)6/h2-13,18,23,25H,14-15H2,1H3,(H,26,28);(H,3,4)(H,5,6)