1-[(3-bromophenyl)methyl]-N-[(E)-(6-methylpyridin-2-yl)methylideneamino]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methyl]-N-[(E)-(6-methylpyridin-2-yl)methylideneamino]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-[(3-bromophenyl)methyl]-N-[(E)-(6-methyl-2-pyridyl)methyleneamino]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-[(3-bromophenyl)methyl]-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-[(3-bromophenyl)methyl]-N-[(E)-(6-methylpyridin-2-yl)methylideneamino]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(3-bromobenzyl)-N-[(E)-(6-methyl-2-pyridyl)methyleneamino]-4-nitro-pyrazole-3-carboxamide Formula: C18H15BrN6O3 MolecularWeight: 443.2541

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=N1)C=NNC(=O)C2=NN(C=C2[N+](=O)[O-])CC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC=CC(=N1)/C=N/NC(=O)C2=NN(C=C2[N+](=O)[O-])CC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H15BrN6O3/c1-12-4-2-7-15(21-12)9-20-22-18(26)17-16(25(27)28)11-24(23-17)10-13-5-3-6-14(19)8-13/h2-9,11H,10H2,1H3,(H,22,26)/b20-9+