methyl 4-[(5-azanyl-3,4-dihydropyrazol-2-yl)methyl]benzoate

Systemtic Name: methyl 4-[(5-azanyl-3,4-dihydropyrazol-2-yl)methyl]benzoate Openeye Name: methyl 4-[(5-amino-3,4-dihydropyrazol-2-yl)methyl]benzoate CAS Name: 4-[(5-amino-3,4-dihydropyrazol-2-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-amino-3,4-dihydropyrazol-2-yl)methyl]benzoate Traditional Name: 4-[(3-amino-2-pyrazolin-1-yl)methyl]benzoic acid methyl ester Formula: C12H15N3O2 MolecularWeight: 233.2664

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCC(=N2)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCC(=N2)N

InChI

InChI=1S/C12H15N3O2/c1-17-12(16)10-4-2-9(3-5-10)8-15-7-6-11(13)14-15/h2-5H,6-8H2,1H3,(H2,13,14)