5-chloranyl-3-methyl-4-[(4-nitroimidazol-1-yl)methyl]-1-phenyl-pyrazole

Systemtic Name: 5-chloranyl-3-methyl-4-[(4-nitroimidazol-1-yl)methyl]-1-phenyl-pyrazole Openeye Name: 5-chloro-3-methyl-4-[(4-nitroimidazol-1-yl)methyl]-1-phenyl-pyrazole CAS Name: 5-chloro-3-methyl-4-[(4-nitro-1-imidazolyl)methyl]-1-phenylpyrazole IUPAC Name: 5-chloro-3-methyl-4-[(4-nitroimidazol-1-yl)methyl]-1-phenylpyrazole Traditional Name: 5-chloro-3-methyl-4-[(4-nitroimidazol-1-yl)methyl]-1-phenyl-pyrazole Formula: C14H12ClN5O2 MolecularWeight: 317.73038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2C=C(N=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1CN2C=C(N=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3

InChI

InChI=1S/C14H12ClN5O2/c1-10-12(7-18-8-13(16-9-18)20(21)22)14(15)19(17-10)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3