N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]-3-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide

Systemtic Name: N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]-3-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide Openeye Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-3-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide CAS Name: N-[1-[(4-bromophenoxy)methyl]-4-pyrazolyl]-3-(3-methoxy-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide Traditional Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-3-(3-methoxy-4-nitro-pyrazol-1-yl)propionamide Formula: C17H17BrN6O5 MolecularWeight: 465.25808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)NC2=CN(N=C2)COC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)NC2=CN(N=C2)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H17BrN6O5/c1-28-17-15(24(26)27)10-22(21-17)7-6-16(25)20-13-8-19-23(9-13)11-29-14-4-2-12(18)3-5-14/h2-5,8-10H,6-7,11H2,1H3,(H,20,25)