(E)-2-(4-nitroimidazol-1-yl)but-2-enoic acid; propylcyclopropane

Systemtic Name: (E)-2-(4-nitroimidazol-1-yl)but-2-enoic acid; propylcyclopropane Openeye Name: (E)-2-(4-nitroimidazol-1-yl)but-2-enoic acid; propylcyclopropane CAS Name: (E)-2-(4-nitro-1-imidazolyl)-2-butenoic acid; propylcyclopropane IUPAC Name: (E)-2-(4-nitroimidazol-1-yl)but-2-enoic acid; propylcyclopropane Traditional Name: (E)-2-(4-nitroimidazol-1-yl)but-2-enoic acid; propylcyclopropane Formula: C13H19N3O4 MolecularWeight: 281.30766

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC1.CC=C(C(=O)O)N1C=C(N=C1)[N+](=O)[O-]

Isomeric SMILES

CCCC1CC1.C/C=C(\C(=O)O)/N1C=C(N=C1)[N+](=O)[O-]

InChI

InChI=1S/C7H7N3O4.C6H12/c1-2-5(7(11)12)9-3-6(8-4-9)10(13)14;1-2-3-6-4-5-6/h2-4H,1H3,(H,11,12);6H,2-5H2,1H3/b5-2+;