2-nitrooxyethyl 1,5-diphenyl-4-(phenylcarbonyl)pyrazole-3-carboxylate

Systemtic Name: 2-nitrooxyethyl 1,5-diphenyl-4-(phenylcarbonyl)pyrazole-3-carboxylate Openeye Name: 2-nitrooxyethyl 4-benzoyl-1,5-diphenyl-pyrazole-3-carboxylate CAS Name: 4-benzoyl-1,5-diphenyl-3-pyrazolecarboxylic acid 2-nitrooxyethyl ester IUPAC Name: 2-nitrooxyethyl 4-benzoyl-1,5-diphenylpyrazole-3-carboxylate Traditional Name: 4-benzoyl-1,5-diphenyl-pyrazole-3-carboxylic acid 2-nitrooxyethyl ester Formula: C25H19N3O6 MolecularWeight: 457.43486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NN2C3=CC=CC=C3)C(=O)OCCO[N+](=O)[O-])C(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NN2C3=CC=CC=C3)C(=O)OCCO[N+](=O)[O-])C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H19N3O6/c29-24(19-12-6-2-7-13-19)21-22(25(30)33-16-17-34-28(31)32)26-27(20-14-8-3-9-15-20)23(21)18-10-4-1-5-11-18/h1-15H,16-17H2