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

Systemtic Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(3,4-dimethoxyphenyl)methyleneamino]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(4-bromobenzyl)-4-nitro-N-[(E)-veratrylideneamino]pyrazole-3-carboxamide Formula: C20H18BrN5O5 MolecularWeight: 488.29142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC(=O)C2=NN(C=C2[N+](=O)[O-])CC3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/NC(=O)C2=NN(C=C2[N+](=O)[O-])CC3=CC=C(C=C3)Br)OC

InChI

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