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

Systemtic Name: 4-bromanyl-N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide Openeye Name: 4-bromo-N-[(E)-(3-hydroxyphenyl)methyleneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide CAS Name: 4-bromo-N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide Traditional Name: 4-bromo-N-[(E)-(3-hydroxybenzylidene)amino]-1-(4-nitrobenzyl)pyrazole-3-carboxamide Formula: C18H14BrN5O4 MolecularWeight: 444.23886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrN5O4/c19-16-11-23(10-12-4-6-14(7-5-12)24(27)28)22-17(16)18(26)21-20-9-13-2-1-3-15(25)8-13/h1-9,11,25H,10H2,(H,21,26)/b20-9+