N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide

Systemtic Name: N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide Openeye Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide CAS Name: N-[1-[(4-bromophenoxy)methyl]-4-pyrazolyl]-3-(3,5-dimethyl-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide Traditional Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propionamide Formula: C18H19BrN6O4 MolecularWeight: 463.28526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NC2=CN(N=C2)COC3=CC=C(C=C3)Br)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NC2=CN(N=C2)COC3=CC=C(C=C3)Br)C)[N+](=O)[O-]

InChI

InChI=1S/C18H19BrN6O4/c1-12-18(25(27)28)13(2)24(22-12)8-7-17(26)21-15-9-20-23(10-15)11-29-16-5-3-14(19)4-6-16/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,26)