5-[(3S)-5-(4-bromophenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(3S)-5-(4-bromophenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[(3S)-5-(4-bromophenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoate CAS Name: 5-[(3S)-5-(4-bromophenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoate IUPAC Name: 5-[(3S)-5-(4-bromophenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoate Traditional Name: 5-[(5S)-3-(4-bromophenyl)-5-(3-nitrophenyl)-2-pyrazolin-1-yl]-5-keto-valerate Formula: C20H17BrN3O5- MolecularWeight: 459.27008

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=C(C=C2)Br)C(=O)CCCC(=O)[O-])C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1[C@H](N(N=C1C2=CC=C(C=C2)Br)C(=O)CCCC(=O)[O-])C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18BrN3O5/c21-15-9-7-13(8-10-15)17-12-18(14-3-1-4-16(11-14)24(28)29)23(22-17)19(25)5-2-6-20(26)27/h1,3-4,7-11,18H,2,5-6,12H2,(H,26,27)/p-1/t18-/m0/s1