(5-methyl-2-phenyl-pyrazol-3-yl) 4-nitrobenzoate

Systemtic Name: (5-methyl-2-phenyl-pyrazol-3-yl) 4-nitrobenzoate Openeye Name: (5-methyl-2-phenyl-pyrazol-3-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (5-methyl-2-phenyl-3-pyrazolyl) ester IUPAC Name: (5-methyl-2-phenylpyrazol-3-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (5-methyl-2-phenyl-pyrazol-3-yl) ester Formula: C17H13N3O4 MolecularWeight: 323.30282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H13N3O4/c1-12-11-16(19(18-12)14-5-3-2-4-6-14)24-17(21)13-7-9-15(10-8-13)20(22)23/h2-11H,1H3