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

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-nitro-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]pyrazole-3-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(4-isopropylphenyl)methyleneamino]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-4-nitro-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-4-nitro-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]pyrazole-3-carboxamide Traditional Name: 1-(4-bromobenzyl)-N-[(E)-(4-isopropylbenzylidene)amino]-4-nitro-pyrazole-3-carboxamide Formula: C21H20BrN5O3 MolecularWeight: 470.3192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN5O3/c1-14(2)17-7-3-15(4-8-17)11-23-24-21(28)20-19(27(29)30)13-26(25-20)12-16-5-9-18(22)10-6-16/h3-11,13-14H,12H2,1-2H3,(H,24,28)/b23-11+