(4-pyrazol-1-ylphenyl)methyl 3-methyl-4-nitro-benzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 3-methyl-4-nitro-benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O4/c1-13-11-15(5-8-17(13)21(23)24)18(22)25-12-14-3-6-16(7-4-14)20-10-2-9-19-20/h2-11H,12H2,1H3