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

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

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