2-(4-nitroimidazol-1-yl)-5-phenyl-pentanoic acid

Systemtic Name: 2-(4-nitroimidazol-1-yl)-5-phenyl-pentanoic acid Openeye Name: 2-(4-nitroimidazol-1-yl)-5-phenyl-pentanoic acid CAS Name: 2-(4-nitro-1-imidazolyl)-5-phenylpentanoic acid IUPAC Name: 2-(4-nitroimidazol-1-yl)-5-phenylpentanoic acid Traditional Name: 2-(4-nitroimidazol-1-yl)-5-phenyl-valeric acid Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(C(=O)O)N2C=C(N=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCC(C(=O)O)N2C=C(N=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O4/c18-14(19)12(16-9-13(15-10-16)17(20)21)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,12H,4,7-8H2,(H,18,19)