4-[(3S)-5-(3-nitrophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3S)-5-(3-nitrophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3S)-5-(3-nitrophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[(3S)-5-(3-nitrophenyl)-3-(6-quinoxalinyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[(3S)-5-(3-nitrophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[(5S)-3-(3-nitrophenyl)-5-quinoxalin-6-yl-2-pyrazolin-1-yl]butyric acid Formula: C21H17N5O5 MolecularWeight: 419.39018

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)CCC(=O)O)C3=CC4=NC=CN=C4C=C3

Isomeric SMILES

C1[C@H](N(N=C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)CCC(=O)O)C3=CC4=NC=CN=C4C=C3

InChI

InChI=1S/C21H17N5O5/c27-20(6-7-21(28)29)25-19(14-4-5-16-18(11-14)23-9-8-22-16)12-17(24-25)13-2-1-3-15(10-13)26(30)31/h1-5,8-11,19H,6-7,12H2,(H,28,29)/t19-/m0/s1