2-[3-methyl-2-(4-nitrophenyl)carbonyl-imidazol-4-yl]ethanoic acid

Systemtic Name: 2-[3-methyl-2-(4-nitrophenyl)carbonyl-imidazol-4-yl]ethanoic acid Openeye Name: 2-[3-methyl-2-(4-nitrobenzoyl)imidazol-4-yl]acetic acid CAS Name: 2-[3-methyl-2-[(4-nitrophenyl)-oxomethyl]-4-imidazolyl]acetic acid IUPAC Name: 2-[3-methyl-2-(4-nitrobenzoyl)imidazol-4-yl]acetic acid Traditional Name: 2-[3-methyl-2-(4-nitrobenzoyl)imidazol-4-yl]acetic acid Formula: C13H11N3O5 MolecularWeight: 289.24354

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

CN1C(=CN=C1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C13H11N3O5/c1-15-10(6-11(17)18)7-14-13(15)12(19)8-2-4-9(5-3-8)16(20)21/h2-5,7H,6H2,1H3,(H,17,18)