(E)-but-2-enedioic acid; 2-(2-phenylpyrrol-1-yl)ethanamine

Systemtic Name: (E)-but-2-enedioic acid; 2-(2-phenylpyrrol-1-yl)ethanamine Openeye Name: fumaric acid; 2-(2-phenylpyrrol-1-yl)ethanamine CAS Name: (E)-2-butenedioic acid; 2-(2-phenyl-1-pyrrolyl)ethanamine IUPAC Name: (E)-but-2-enedioic acid; 2-(2-phenylpyrrol-1-yl)ethanamine Traditional Name: fumaric acid; 2-(2-phenylpyrrol-1-yl)ethylamine Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CN2CCN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CN2CCN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H14N2.C4H4O4/c13-8-10-14-9-4-7-12(14)11-5-2-1-3-6-11;5-3(6)1-2-4(7)8/h1-7,9H,8,10,13H2;1-2H,(H,5,6)(H,7,8)/b;2-1+