3-[[3-(aminomethyl)-5-methyl-1H-pyrazol-4-yl]oxy]-5-isocyano-benzenecarbonitrile

Systemtic Name: 3-[[3-(aminomethyl)-5-methyl-1H-pyrazol-4-yl]oxy]-5-isocyano-benzenecarbonitrile Openeye Name: 3-[[3-(aminomethyl)-5-methyl-1H-pyrazol-4-yl]oxy]-5-isocyano-benzonitrile CAS Name: 3-[[3-(aminomethyl)-5-methyl-1H-pyrazol-4-yl]oxy]-5-isocyanobenzonitrile IUPAC Name: 3-[[3-(aminomethyl)-5-methyl-1H-pyrazol-4-yl]oxy]-5-isocyanobenzonitrile Traditional Name: 3-[[3-(aminomethyl)-5-methyl-1H-pyrazol-4-yl]oxy]-5-isocyano-benzonitrile Formula: C13H11N5O MolecularWeight: 253.25934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)CN)OC2=CC(=CC(=C2)[N+]#[C-])C#N

Isomeric SMILES

CC1=C(C(=NN1)CN)OC2=CC(=CC(=C2)[N+]#[C-])C#N

InChI

InChI=1S/C13H11N5O/c1-8-13(12(7-15)18-17-8)19-11-4-9(6-14)3-10(5-11)16-2/h3-5H,7,15H2,1H3,(H,17,18)