(5-nitrofuran-2-yl)-[(3S)-5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]methanone

Systemtic Name: (5-nitrofuran-2-yl)-[(3S)-5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]methanone Openeye Name: (5-nitro-2-furyl)-[(3S)-5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]methanone CAS Name: (5-nitro-2-furanyl)-[(3S)-5-phenyl-3-(6-quinoxalinyl)-3,4-dihydropyrazol-2-yl]methanone IUPAC Name: (5-nitrofuran-2-yl)-[(3S)-5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]methanone Traditional Name: (5-nitro-2-furyl)-[(5S)-3-phenyl-5-quinoxalin-6-yl-2-pyrazolin-1-yl]methanone Formula: C22H15N5O4 MolecularWeight: 413.3856

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CC=C2)C(=O)C3=CC=C(O3)[N+](=O)[O-])C4=CC5=NC=CN=C5C=C4

Isomeric SMILES

C1[C@H](N(N=C1C2=CC=CC=C2)C(=O)C3=CC=C(O3)[N+](=O)[O-])C4=CC5=NC=CN=C5C=C4

InChI

InChI=1S/C22H15N5O4/c28-22(20-8-9-21(31-20)27(29)30)26-19(13-17(25-26)14-4-2-1-3-5-14)15-6-7-16-18(12-15)24-11-10-23-16/h1-12,19H,13H2/t19-/m0/s1