(4-pyrazol-1-ylphenyl)methyl 2-(4-nitrophenoxy)ethanoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-(4-nitrophenoxy)ethanoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-(4-nitrophenoxy)acetate CAS Name: 2-(4-nitrophenoxy)acetic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-(4-nitrophenoxy)acetate Traditional Name: 2-(4-nitrophenoxy)acetic acid (4-pyrazol-1-ylbenzyl) ester Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)COC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)COC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5/c22-18(13-25-17-8-6-16(7-9-17)21(23)24)26-12-14-2-4-15(5-3-14)20-11-1-10-19-20/h1-11H,12-13H2