5-nitro-1-(phenylmethyl)imidazole-4-carboxylic acid

Systemtic Name: 5-nitro-1-(phenylmethyl)imidazole-4-carboxylic acid Openeye Name: 1-benzyl-5-nitro-imidazole-4-carboxylic acid CAS Name: 5-nitro-1-(phenylmethyl)-4-imidazolecarboxylic acid IUPAC Name: 1-benzyl-5-nitroimidazole-4-carboxylic acid Traditional Name: 1-benzyl-5-nitro-imidazole-4-carboxylic acid Formula: C11H9N3O4 MolecularWeight: 247.20686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC(=C2[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC(=C2[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C11H9N3O4/c15-11(16)9-10(14(17)18)13(7-12-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,15,16)