3-(1,3-benzodioxol-5-yl)-N-(2-chloranyl-5-nitro-phenyl)-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-(2-chloranyl-5-nitro-phenyl)-1H-pyrazole-5-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-(2-chloro-5-nitro-phenyl)-1H-pyrazole-5-carboxamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-(2-chloro-5-nitrophenyl)-1H-pyrazole-5-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-(2-chloro-5-nitrophenyl)-1H-pyrazole-5-carboxamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-(2-chloro-5-nitro-phenyl)-1H-pyrazole-5-carboxamide Formula: C17H11ClN4O5 MolecularWeight: 386.74604

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H11ClN4O5/c18-11-3-2-10(22(24)25)6-13(11)19-17(23)14-7-12(20-21-14)9-1-4-15-16(5-9)27-8-26-15/h1-7H,8H2,(H,19,23)(H,20,21)