3-methyl-5-(2-nitrophenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: 3-methyl-5-(2-nitrophenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: 3-methyl-5-(2-nitrophenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-methyl-5-(2-nitrophenyl)-1-phenyl-4-pyrazolecarboxylate IUPAC Name: 3-methyl-5-(2-nitrophenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-methyl-5-(2-nitrophenyl)-1-phenyl-pyrazole-4-carboxylate Formula: C17H12N3O4- MolecularWeight: 322.29488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)[O-])C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)[O-])C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3

InChI

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