phenyl 3-nitro-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: phenyl 3-nitro-1-phenyl-pyrazole-4-carboxylate Openeye Name: phenyl 3-nitro-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-nitro-1-phenyl-4-pyrazolecarboxylic acid phenyl ester IUPAC Name: phenyl 3-nitro-1-phenylpyrazole-4-carboxylate Traditional Name: 3-nitro-1-phenyl-pyrazole-4-carboxylic acid phenyl ester Formula: C16H11N3O4 MolecularWeight: 309.27624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)[N+](=O)[O-])C(=O)OC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)[N+](=O)[O-])C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C16H11N3O4/c20-16(23-13-9-5-2-6-10-13)14-11-18(17-15(14)19(21)22)12-7-3-1-4-8-12/h1-11H