1-[(3S)-5-(3-nitrophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 1-[(3S)-5-(3-nitrophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[(3S)-5-(3-nitrophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[(3S)-5-(3-nitrophenyl)-3-(6-quinoxalinyl)-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 1-[(3S)-5-(3-nitrophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[(5S)-3-(3-nitrophenyl)-5-quinoxalin-6-yl-2-pyrazolin-1-yl]ethanone Formula: C19H15N5O3 MolecularWeight: 361.3541

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC4=NC=CN=C4C=C3

Isomeric SMILES

CC(=O)N1[C@@H](CC(=N1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC4=NC=CN=C4C=C3

InChI

InChI=1S/C19H15N5O3/c1-12(25)23-19(14-5-6-16-18(10-14)21-8-7-20-16)11-17(22-23)13-3-2-4-15(9-13)24(26)27/h2-10,19H,11H2,1H3/t19-/m0/s1