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

Systemtic Name: 1-[(3-bromophenyl)methyl]-N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-[(3-bromophenyl)methyl]-N-[(E)-(1,3-dimethylpyrazol-4-yl)methyleneamino]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-[(3-bromophenyl)methyl]-N-[(E)-(1,3-dimethyl-4-pyrazolyl)methylideneamino]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-[(3-bromophenyl)methyl]-N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(3-bromobenzyl)-N-[(E)-(1,3-dimethylpyrazol-4-yl)methyleneamino]-4-nitro-pyrazole-3-carboxamide Formula: C17H16BrN7O3 MolecularWeight: 446.25804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C=NNC(=O)C2=NN(C=C2[N+](=O)[O-])CC3=CC(=CC=C3)Br)C

Isomeric SMILES

CC1=NN(C=C1/C=N/NC(=O)C2=NN(C=C2[N+](=O)[O-])CC3=CC(=CC=C3)Br)C

InChI

InChI=1S/C17H16BrN7O3/c1-11-13(9-23(2)21-11)7-19-20-17(26)16-15(25(27)28)10-24(22-16)8-12-4-3-5-14(18)6-12/h3-7,9-10H,8H2,1-2H3,(H,20,26)/b19-7+