N,N-dimethyl-3-(4-methyl-2-nitro-phenoxy)propan-1-amine; ethanedioic acid

Systemtic Name: N,N-dimethyl-3-(4-methyl-2-nitro-phenoxy)propan-1-amine; ethanedioic acid Openeye Name: N,N-dimethyl-3-(4-methyl-2-nitro-phenoxy)propan-1-amine; oxalic acid CAS Name: N,N-dimethyl-3-(4-methyl-2-nitrophenoxy)-1-propanamine; oxalic acid IUPAC Name: N,N-dimethyl-3-(4-methyl-2-nitrophenoxy)propan-1-amine; oxalic acid Traditional Name: dimethyl-[3-(4-methyl-2-nitro-phenoxy)propyl]amine; oxalic acid Formula: C14H20N2O7 MolecularWeight: 328.3178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCN(C)C)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCN(C)C)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C12H18N2O3.C2H2O4/c1-10-5-6-12(11(9-10)14(15)16)17-8-4-7-13(2)3;3-1(4)2(5)6/h5-6,9H,4,7-8H2,1-3H3;(H,3,4)(H,5,6)