3-(2-bromanyl-5-nitro-phenoxy)-N-methyl-3-phenyl-propan-1-amine; (E)-but-2-enedioic acid

Systemtic Name: 3-(2-bromanyl-5-nitro-phenoxy)-N-methyl-3-phenyl-propan-1-amine; (E)-but-2-enedioic acid Openeye Name: 3-(2-bromo-5-nitro-phenoxy)-N-methyl-3-phenyl-propan-1-amine; fumaric acid CAS Name: 3-(2-bromo-5-nitrophenoxy)-N-methyl-3-phenyl-1-propanamine; (E)-2-butenedioic acid IUPAC Name: 3-(2-bromo-5-nitrophenoxy)-N-methyl-3-phenylpropan-1-amine; (E)-but-2-enedioic acid Traditional Name: [3-(2-bromo-5-nitro-phenoxy)-3-phenyl-propyl]-methyl-amine; fumaric acid Formula: C20H21BrN2O7 MolecularWeight: 481.29394

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC(C1=CC=CC=C1)OC2=C(C=CC(=C2)[N+](=O)[O-])Br.C(=CC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN2O3.C4H4O4/c1-18-10-9-15(12-5-3-2-4-6-12)22-16-11-13(19(20)21)7-8-14(16)17;5-3(6)1-2-4(7)8/h2-8,11,15,18H,9-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+