ethyl 3-[(3S)-5-(4-methoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]but-2-enoate

Systemtic Name: ethyl 3-[(3S)-5-(4-methoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]but-2-enoate Openeye Name: ethyl 3-[(3S)-5-(4-methoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]but-2-enoate CAS Name: 3-[(3S)-5-(4-methoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-2-butenoic acid ethyl ester IUPAC Name: ethyl 3-[(3S)-5-(4-methoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]but-2-enoate Traditional Name: 3-[(5S)-3-(4-methoxyphenyl)-5-(3-nitrophenyl)-2-pyrazolin-1-yl]but-2-enoic acid ethyl ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O5/c1-4-30-22(26)12-15(2)24-21(17-6-5-7-18(13-17)25(27)28)14-20(23-24)16-8-10-19(29-3)11-9-16/h5-13,21H,4,14H2,1-3H3/t21-/m0/s1