N-[(E)-[4-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methylideneamino]-2-(4-nitropyrazol-1-yl)ethanamide

Systemtic Name: N-[(E)-[4-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methylideneamino]-2-(4-nitropyrazol-1-yl)ethanamide Openeye Name: N-[(E)-[4-[(2-chloro-4-fluoro-phenyl)methoxy]-3-methoxy-phenyl]methyleneamino]-2-(4-nitropyrazol-1-yl)acetamide CAS Name: N-[(E)-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-[(E)-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide Traditional Name: N-[(E)-[4-(2-chloro-4-fluoro-benzyl)oxy-3-methoxy-benzylidene]amino]-2-(4-nitropyrazol-1-yl)acetamide Formula: C20H17ClFN5O5 MolecularWeight: 461.830883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=O)CN2C=C(C=N2)[N+](=O)[O-])OCC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=O)CN2C=C(C=N2)[N+](=O)[O-])OCC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C20H17ClFN5O5/c1-31-19-6-13(2-5-18(19)32-12-14-3-4-15(22)7-17(14)21)8-23-25-20(28)11-26-10-16(9-24-26)27(29)30/h2-10H,11-12H2,1H3,(H,25,28)/b23-8+