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

Systemtic Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(2-methoxyphenyl)methylideneamino]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(2-methoxyphenyl)methyleneamino]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(2-methoxyphenyl)methylideneamino]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(2-methoxyphenyl)methylideneamino]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(4-bromobenzyl)-4-nitro-N-[(E)-o-anisylideneamino]pyrazole-3-carboxamide Formula: C19H16BrN5O4 MolecularWeight: 458.26544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=NNC(=O)C2=NN(C=C2[N+](=O)[O-])CC3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrN5O4/c1-29-17-5-3-2-4-14(17)10-21-22-19(26)18-16(25(27)28)12-24(23-18)11-13-6-8-15(20)9-7-13/h2-10,12H,11H2,1H3,(H,22,26)/b21-10+