(E)-but-2-enedioic acid; 2-(3-nitrophenyl)-1-phenyl-propan-2-amine

Systemtic Name: (E)-but-2-enedioic acid; 2-(3-nitrophenyl)-1-phenyl-propan-2-amine Openeye Name: fumaric acid; 2-(3-nitrophenyl)-1-phenyl-propan-2-amine CAS Name: (E)-2-butenedioic acid; 2-(3-nitrophenyl)-1-phenyl-2-propanamine IUPAC Name: (E)-but-2-enedioic acid; 2-(3-nitrophenyl)-1-phenylpropan-2-amine Traditional Name: fumaric acid; [1-methyl-1-(3-nitrophenyl)-2-phenyl-ethyl]amine Formula: C19H20N2O6 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(CC1=CC=CC=C1)(C2=CC(=CC=C2)[N+](=O)[O-])N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H16N2O2.C4H4O4/c1-15(16,11-12-6-3-2-4-7-12)13-8-5-9-14(10-13)17(18)19;5-3(6)1-2-4(7)8/h2-10H,11,16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+