1-[(4-bromophenyl)methyl]-4-nitro-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]pyrazole-3-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-nitro-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]pyrazole-3-carboxamide Openeye Name: N-[(E)-(2-benzyloxyphenyl)methyleneamino]-1-[(4-bromophenyl)methyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-4-nitro-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-4-nitro-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]pyrazole-3-carboxamide Traditional Name: N-[(E)-(2-benzoxybenzylidene)amino]-1-(4-bromobenzyl)-4-nitro-pyrazole-3-carboxamide Formula: C25H20BrN5O4 MolecularWeight: 534.3614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC=C2C=NNC(=O)C3=NN(C=C3[N+](=O)[O-])CC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC=C2/C=N/NC(=O)C3=NN(C=C3[N+](=O)[O-])CC4=CC=C(C=C4)Br

InChI

InChI=1S/C25H20BrN5O4/c26-21-12-10-18(11-13-21)15-30-16-22(31(33)34)24(29-30)25(32)28-27-14-20-8-4-5-9-23(20)35-17-19-6-2-1-3-7-19/h1-14,16H,15,17H2,(H,28,32)/b27-14+