(5-cyano-1-methyl-4-nitro-imidazol-2-yl)methyl 2-chloranylbenzoate

Systemtic Name: (5-cyano-1-methyl-4-nitro-imidazol-2-yl)methyl 2-chloranylbenzoate Openeye Name: (5-cyano-1-methyl-4-nitro-imidazol-2-yl)methyl 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid (5-cyano-1-methyl-4-nitro-2-imidazolyl)methyl ester IUPAC Name: (5-cyano-1-methyl-4-nitroimidazol-2-yl)methyl 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid (5-cyano-1-methyl-4-nitro-imidazol-2-yl)methyl ester Formula: C13H9ClN4O4 MolecularWeight: 320.68796

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=C1C#N)[N+](=O)[O-])COC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CN1C(=NC(=C1C#N)[N+](=O)[O-])COC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C13H9ClN4O4/c1-17-10(6-15)12(18(20)21)16-11(17)7-22-13(19)8-4-2-3-5-9(8)14/h2-5H,7H2,1H3