5-nitro-3-(phenylmethyl)imidazole-4-carboxylate

Systemtic Name: 5-nitro-3-(phenylmethyl)imidazole-4-carboxylate Openeye Name: 3-benzyl-5-nitro-imidazole-4-carboxylate CAS Name: 5-nitro-3-(phenylmethyl)-4-imidazolecarboxylate IUPAC Name: 3-benzyl-5-nitroimidazole-4-carboxylate Traditional Name: 3-benzyl-5-nitro-imidazole-4-carboxylate Formula: C11H8N3O4- MolecularWeight: 246.19892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC(=C2C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC(=C2C(=O)[O-])[N+](=O)[O-]

InChI

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