4-chloranyl-N-(4-methyl-2-nitro-phenyl)-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: 4-chloranyl-N-(4-methyl-2-nitro-phenyl)-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-chloro-N-(4-methyl-2-nitro-phenyl)-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-chloro-N-(4-methyl-2-nitrophenyl)-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-chloro-N-(4-methyl-2-nitrophenyl)-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-chloro-N-(4-methyl-2-nitro-phenyl)-3-nitro-1H-pyrazole-5-carboxamide Formula: C11H8ClN5O5 MolecularWeight: 325.66472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C11H8ClN5O5/c1-5-2-3-6(7(4-5)16(19)20)13-11(18)9-8(12)10(15-14-9)17(21)22/h2-4H,1H3,(H,13,18)(H,14,15)