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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)OCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)OCC2=CC=C(C=C2)N3C=CC=N3

InChI

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