N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]-4-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[1-[(4-bromophenoxy)methyl]-4-pyrazolyl]-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-4-nitro-1H-pyrazole-5-carboxamide Formula: C14H11BrN6O4 MolecularWeight: 407.17894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCN2C=C(C=N2)NC(=O)C3=C(C=NN3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1OCN2C=C(C=N2)NC(=O)C3=C(C=NN3)[N+](=O)[O-])Br

InChI

InChI=1S/C14H11BrN6O4/c15-9-1-3-11(4-2-9)25-8-20-7-10(5-17-20)18-14(22)13-12(21(23)24)6-16-19-13/h1-7H,8H2,(H,16,19)(H,18,22)