1-[(2-chloranyl-4-nitro-phenoxy)methyl]-N-(4-nitrophenyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(2-chloranyl-4-nitro-phenoxy)methyl]-N-(4-nitrophenyl)pyrazole-3-carboxamide Openeye Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-(4-nitrophenyl)pyrazole-3-carboxamide CAS Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-(4-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-(4-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-(4-nitrophenyl)pyrazole-3-carboxamide Formula: C17H12ClN5O6 MolecularWeight: 417.76008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H12ClN5O6/c18-14-9-13(23(27)28)5-6-16(14)29-10-21-8-7-15(20-21)17(24)19-11-1-3-12(4-2-11)22(25)26/h1-9H,10H2,(H,19,24)