ethanedioic acid; N-(2-methoxy-5-nitro-phenyl)-3-methyl-butanamide

Systemtic Name: ethanedioic acid; N-(2-methoxy-5-nitro-phenyl)-3-methyl-butanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-3-methyl-butanamide; oxalic acid CAS Name: N-(2-methoxy-5-nitrophenyl)-3-methylbutanamide; oxalic acid IUPAC Name: N-(2-methoxy-5-nitrophenyl)-3-methylbutanamide; oxalic acid Traditional Name: N-(2-methoxy-5-nitro-phenyl)-3-methyl-butyramide; oxalic acid Formula: C14H18N2O8 MolecularWeight: 342.30132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H16N2O4.C2H2O4/c1-8(2)6-12(15)13-10-7-9(14(16)17)4-5-11(10)18-3;3-1(4)2(5)6/h4-5,7-8H,6H2,1-3H3,(H,13,15);(H,3,4)(H,5,6)