4-bromanyl-N-[(E)-(4-ethoxy-3-oxidanyl-phenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-N-[(E)-(4-ethoxy-3-oxidanyl-phenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide Openeye Name: 4-bromo-N-[(E)-(4-ethoxy-3-hydroxy-phenyl)methyleneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide CAS Name: 4-bromo-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide Traditional Name: 4-bromo-N-[(E)-(4-ethoxy-3-hydroxy-benzylidene)amino]-1-(4-nitrobenzyl)pyrazole-3-carboxamide Formula: C20H18BrN5O5 MolecularWeight: 488.29142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=NNC(=O)C2=NN(C=C2Br)CC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=N/NC(=O)C2=NN(C=C2Br)CC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C20H18BrN5O5/c1-2-31-18-8-5-14(9-17(18)27)10-22-23-20(28)19-16(21)12-25(24-19)11-13-3-6-15(7-4-13)26(29)30/h3-10,12,27H,2,11H2,1H3,(H,23,28)/b22-10+