(E)-4-[5-(4-methoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]pent-3-en-2-one

Systemtic Name: (E)-4-[5-(4-methoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]pent-3-en-2-one Openeye Name: (E)-4-[5-(4-methoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]pent-3-en-2-one CAS Name: (E)-4-[5-(4-methoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-3-penten-2-one IUPAC Name: (E)-4-[5-(4-methoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]pent-3-en-2-one Traditional Name: (E)-4-[3-(4-methoxyphenyl)-5-(3-nitrophenyl)-2-pyrazolin-1-yl]pent-3-en-2-one Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-14(11-15(2)25)23-21(17-5-4-6-18(12-17)24(26)27)13-20(22-23)16-7-9-19(28-3)10-8-16/h4-12,21H,13H2,1-3H3/b14-11+