methyl 3-[1-[4-(2-azidoethyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]benzoate

Systemtic Name: methyl 3-[1-[4-(2-azidoethyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]benzoate Openeye Name: methyl 3-[1-[4-(2-azidoethyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]benzoate CAS Name: 3-[1-[4-(2-azidoethyl)phenyl]-3,5-dimethyl-4-pyrazolyl]benzoic acid methyl ester IUPAC Name: methyl 3-[1-[4-(2-azidoethyl)phenyl]-3,5-dimethylpyrazol-4-yl]benzoate Traditional Name: 3-[1-[4-(2-azidoethyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]benzoic acid methyl ester Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)CCN=[N+]=[N-])C)C3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)CCN=[N+]=[N-])C)C3=CC(=CC=C3)C(=O)OC

InChI

InChI=1S/C21H21N5O2/c1-14-20(17-5-4-6-18(13-17)21(27)28-3)15(2)26(24-14)19-9-7-16(8-10-19)11-12-23-25-22/h4-10,13H,11-12H2,1-3H3