[2-[1-ethyl-3-methyl-5-(3-nitrophenyl)pyrazol-4-yl]phenyl] benzoate

Systemtic Name: [2-[1-ethyl-3-methyl-5-(3-nitrophenyl)pyrazol-4-yl]phenyl] benzoate Openeye Name: [2-[1-ethyl-3-methyl-5-(3-nitrophenyl)pyrazol-4-yl]phenyl] benzoate CAS Name: benzoic acid [2-[1-ethyl-3-methyl-5-(3-nitrophenyl)-4-pyrazolyl]phenyl] ester IUPAC Name: [2-[1-ethyl-3-methyl-5-(3-nitrophenyl)pyrazol-4-yl]phenyl] benzoate Traditional Name: benzoic acid [2-[1-ethyl-3-methyl-5-(3-nitrophenyl)pyrazol-4-yl]phenyl] ester Formula: C25H21N3O4 MolecularWeight: 427.45194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C2=CC=CC=C2OC(=O)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=C(C(=N1)C)C2=CC=CC=C2OC(=O)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H21N3O4/c1-3-27-24(19-12-9-13-20(16-19)28(30)31)23(17(2)26-27)21-14-7-8-15-22(21)32-25(29)18-10-5-4-6-11-18/h4-16H,3H2,1-2H3