(E)-but-2-enedioic acid; 1-(5-nitropyridin-3-yl)pyrrolidin-1-ium-1-amine

Systemtic Name: (E)-but-2-enedioic acid; 1-(5-nitropyridin-3-yl)pyrrolidin-1-ium-1-amine Openeye Name: fumaric acid; 1-(5-nitro-3-pyridyl)pyrrolidin-1-ium-1-amine CAS Name: (E)-2-butenedioic acid; 1-(5-nitro-3-pyridinyl)-1-pyrrolidin-1-iumamine IUPAC Name: (E)-but-2-enedioic acid; 1-(5-nitropyridin-3-yl)pyrrolidin-1-ium-1-amine Traditional Name: fumaric acid; [1-(5-nitro-3-pyridyl)pyrrolidin-1-ium-1-yl]amine Formula: C13H17N4O6+ MolecularWeight: 325.29728

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C1)(C2=CN=CC(=C2)[N+](=O)[O-])N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CC[N+](C1)(C2=CN=CC(=C2)[N+](=O)[O-])N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H13N4O2.C4H4O4/c10-13(3-1-2-4-13)9-5-8(12(14)15)6-11-7-9;5-3(6)1-2-4(7)8/h5-7H,1-4,10H2;1-2H,(H,5,6)(H,7,8)/q+1;/b;2-1+