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

Systemtic Name: 1-[(3-bromophenyl)methyl]-N-[(E)-(4-dimethylaminophenyl)methylideneamino]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-[(3-bromophenyl)methyl]-N-[(E)-(4-dimethylaminophenyl)methyleneamino]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-[(3-bromophenyl)methyl]-N-[(E)-(4-dimethylaminophenyl)methylideneamino]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-[(3-bromophenyl)methyl]-N-[(E)-(4-dimethylaminophenyl)methylideneamino]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(3-bromobenzyl)-N-[(E)-[4-(dimethylamino)benzylidene]amino]-4-nitro-pyrazole-3-carboxamide Formula: C20H19BrN6O3 MolecularWeight: 471.30726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN6O3/c1-25(2)17-8-6-14(7-9-17)11-22-23-20(28)19-18(27(29)30)13-26(24-19)12-15-4-3-5-16(21)10-15/h3-11,13H,12H2,1-2H3,(H,23,28)/b22-11+