2-azanyl-N-(2,5-dimethylpyrrol-1-yl)ethanamide; (E)-but-2-enedioic acid

Systemtic Name: 2-azanyl-N-(2,5-dimethylpyrrol-1-yl)ethanamide; (E)-but-2-enedioic acid Openeye Name: 2-amino-N-(2,5-dimethylpyrrol-1-yl)acetamide; fumaric acid CAS Name: 2-amino-N-(2,5-dimethyl-1-pyrrolyl)acetamide; (E)-2-butenedioic acid IUPAC Name: 2-amino-N-(2,5-dimethylpyrrol-1-yl)acetamide; (E)-but-2-enedioic acid Traditional Name: 2-amino-N-(2,5-dimethylpyrrol-1-yl)acetamide; fumaric acid Formula: C12H17N3O5 MolecularWeight: 283.28048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1NC(=O)CN)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(N1NC(=O)CN)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C8H13N3O.C4H4O4/c1-6-3-4-7(2)11(6)10-8(12)5-9;5-3(6)1-2-4(7)8/h3-4H,5,9H2,1-2H3,(H,10,12);1-2H,(H,5,6)(H,7,8)/b;2-1+