methyl (3R,4R,5R)-3-methyl-4-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazole-5-carboxylate

Systemtic Name: methyl (3R,4R,5R)-3-methyl-4-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazole-5-carboxylate Openeye Name: methyl (3R,4R,5R)-3-methyl-4-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazole-5-carboxylate CAS Name: (3R,4R,5R)-3-methyl-4-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl (3R,4R,5R)-3-methyl-4-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazole-5-carboxylate Traditional Name: (3R,4R,5R)-5-methyl-4-(4-nitrophenyl)-3-phenyl-1-pyrazoline-3-carboxylic acid methyl ester Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(N=N1)(C2=CC=CC=C2)C(=O)OC)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1[C@H]([C@@](N=N1)(C2=CC=CC=C2)C(=O)OC)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4/c1-12-16(13-8-10-15(11-9-13)21(23)24)18(20-19-12,17(22)25-2)14-6-4-3-5-7-14/h3-12,16H,1-2H3/t12-,16+,18+/m1/s1