ethyl 3-[(3R)-3-(3-nitrophenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]but-2-enoate

Systemtic Name: ethyl 3-[(3R)-3-(3-nitrophenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]but-2-enoate Openeye Name: ethyl 3-[(3R)-3-(3-nitrophenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]but-2-enoate CAS Name: 3-[(3R)-3-(3-nitrophenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-butenoic acid ethyl ester IUPAC Name: ethyl 3-[(3R)-3-(3-nitrophenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]but-2-enoate Traditional Name: 3-[(5R)-5-(3-nitrophenyl)-3-phenyl-3-pyrazolin-1-yl]but-2-enoic acid ethyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)N1C(C=C(N1)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-3-28-21(25)12-15(2)23-20(17-10-7-11-18(13-17)24(26)27)14-19(22-23)16-8-5-4-6-9-16/h4-14,20,22H,3H2,1-2H3/t20-/m1/s1