(1-phenylpyrazol-4-yl)methyl 2-methyl-6-nitro-benzoate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 2-methyl-6-nitro-benzoate Openeye Name: (1-phenylpyrazol-4-yl)methyl 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC2=CN(N=C2)C3=CC=CC=C3

InChI

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