(E)-but-2-enedioic acid; N,N-dimethyl-3-(2-nitrophenoxy)-3-phenyl-propan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; N,N-dimethyl-3-(2-nitrophenoxy)-3-phenyl-propan-1-amine Openeye Name: N,N-dimethyl-3-(2-nitrophenoxy)-3-phenyl-propan-1-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; N,N-dimethyl-3-(2-nitrophenoxy)-3-phenyl-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; N,N-dimethyl-3-(2-nitrophenoxy)-3-phenylpropan-1-amine Traditional Name: dimethyl-[3-(2-nitrophenoxy)-3-phenyl-propyl]amine; fumaric acid Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(C1=CC=CC=C1)OC2=CC=CC=C2[N+](=O)[O-].C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCC(C1=CC=CC=C1)OC2=CC=CC=C2[N+](=O)[O-].C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H20N2O3.C4H4O4/c1-18(2)13-12-16(14-8-4-3-5-9-14)22-17-11-7-6-10-15(17)19(20)21;5-3(6)1-2-4(7)8/h3-11,16H,12-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+