[2-[5-nitro-1-(phenylmethyl)imidazol-4-yl]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [2-[5-nitro-1-(phenylmethyl)imidazol-4-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-(1-benzyl-5-nitro-imidazol-4-yl)-2-oxo-ethyl]ammonium CAS Name: [2-[5-nitro-1-(phenylmethyl)-4-imidazolyl]-2-oxoethyl]ammonium IUPAC Name: [2-(1-benzyl-5-nitroimidazol-4-yl)-2-oxoethyl]azanium Traditional Name: [2-(1-benzyl-5-nitro-imidazol-4-yl)-2-keto-ethyl]ammonium Formula: C12H13N4O3+ MolecularWeight: 261.25662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC(=C2[N+](=O)[O-])C(=O)C[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC(=C2[N+](=O)[O-])C(=O)C[NH3+]

InChI

InChI=1S/C12H12N4O3/c13-6-10(17)11-12(16(18)19)15(8-14-11)7-9-4-2-1-3-5-9/h1-5,8H,6-7,13H2/p+1