N-[4-bromanyl-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[4-bromanyl-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]-3-pyrazolyl]-1-ethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[4-bromo-1-(3,4-dichlorobenzyl)pyrazol-3-yl]-1-ethyl-4-nitro-pyrazole-3-carboxamide Formula: C16H13BrCl2N6O3 MolecularWeight: 488.12282

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=NN(C=C2Br)CC3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=NN(C=C2Br)CC3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H13BrCl2N6O3/c1-2-23-8-13(25(27)28)14(21-23)16(26)20-15-10(17)7-24(22-15)6-9-3-4-11(18)12(19)5-9/h3-5,7-8H,2,6H2,1H3,(H,20,22,26)