3-(1,3-benzodioxol-5-yl)-N-(4-methoxy-2-nitro-phenyl)-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-(4-methoxy-2-nitro-phenyl)-1H-pyrazole-5-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-(4-methoxy-2-nitro-phenyl)-1H-pyrazole-5-carboxamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-(4-methoxy-2-nitrophenyl)-1H-pyrazole-5-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-(4-methoxy-2-nitrophenyl)-1H-pyrazole-5-carboxamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-(4-methoxy-2-nitro-phenyl)-1H-pyrazole-5-carboxamide Formula: C18H14N4O6 MolecularWeight: 382.32696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C2=CC(=NN2)C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C2=CC(=NN2)C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O6/c1-26-11-3-4-12(15(7-11)22(24)25)19-18(23)14-8-13(20-21-14)10-2-5-16-17(6-10)28-9-27-16/h2-8H,9H2,1H3,(H,19,23)(H,20,21)