1-[(3-bromophenyl)methyl]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methyl]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-[(3-bromophenyl)methyl]-N-[(E)-(5-methyl-2-furyl)methyleneamino]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-[(3-bromophenyl)methyl]-N-[(E)-(5-methyl-2-furanyl)methylideneamino]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-[(3-bromophenyl)methyl]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(3-bromobenzyl)-N-[(E)-(5-methyl-2-furyl)methyleneamino]-4-nitro-pyrazole-3-carboxamide Formula: C17H14BrN5O4 MolecularWeight: 432.22816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=NNC(=O)C2=NN(C=C2[N+](=O)[O-])CC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC=C(O1)/C=N/NC(=O)C2=NN(C=C2[N+](=O)[O-])CC3=CC(=CC=C3)Br

InChI

InChI=1S/C17H14BrN5O4/c1-11-5-6-14(27-11)8-19-20-17(24)16-15(23(25)26)10-22(21-16)9-12-3-2-4-13(18)7-12/h2-8,10H,9H2,1H3,(H,20,24)/b19-8+