(E)-but-2-enedioic acid; 2-methylindol-1-amine

Systemtic Name: (E)-but-2-enedioic acid; 2-methylindol-1-amine Openeye Name: fumaric acid; 2-methylindol-1-amine CAS Name: (E)-2-butenedioic acid; 2-methyl-1-indolamine IUPAC Name: (E)-but-2-enedioic acid; 2-methylindol-1-amine Traditional Name: fumaric acid; (2-methylindol-1-yl)amine Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2N1N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC2=CC=CC=C2N1N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H10N2.C4H4O4/c1-7-6-8-4-2-3-5-9(8)11(7)10;5-3(6)1-2-4(7)8/h2-6H,10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+