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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-(4-ethoxy-2-nitro-phenyl)-1H-pyrazole-5-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-(4-ethoxy-2-nitro-phenyl)-1H-pyrazole-5-carboxamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-(4-ethoxy-2-nitrophenyl)-1H-pyrazole-5-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-(4-ethoxy-2-nitrophenyl)-1H-pyrazole-5-carboxamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-(4-ethoxy-2-nitro-phenyl)-1H-pyrazole-5-carboxamide Formula: C19H16N4O6 MolecularWeight: 396.35354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)C2=CC(=NN2)C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)C2=CC(=NN2)C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O6/c1-2-27-12-4-5-13(16(8-12)23(25)26)20-19(24)15-9-14(21-22-15)11-3-6-17-18(7-11)29-10-28-17/h3-9H,2,10H2,1H3,(H,20,24)(H,21,22)