4-[[(2S)-6-(oxidanylcarbamoyl)-3-oxidanylidene-2-propan-2-yl-2,4-dihydroquinoxalin-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[(2S)-6-(oxidanylcarbamoyl)-3-oxidanylidene-2-propan-2-yl-2,4-dihydroquinoxalin-1-yl]methyl]benzoic acid Openeye Name: 4-[[(2S)-6-(hydroxycarbamoyl)-2-isopropyl-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]benzoic acid CAS Name: 4-[[(2S)-6-[(hydroxyamino)-oxomethyl]-3-oxo-2-propan-2-yl-2,4-dihydroquinoxalin-1-yl]methyl]benzoic acid IUPAC Name: 4-[[(2S)-6-(hydroxycarbamoyl)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxalin-1-yl]methyl]benzoic acid Traditional Name: 4-[[(2S)-6-(hydroxycarbamoyl)-2-isopropyl-3-keto-2,4-dihydroquinoxalin-1-yl]methyl]benzoic acid Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)NC2=C(N1CC3=CC=C(C=C3)C(=O)O)C=CC(=C2)C(=O)NO

Isomeric SMILES

CC(C)[C@H]1C(=O)NC2=C(N1CC3=CC=C(C=C3)C(=O)O)C=CC(=C2)C(=O)NO

InChI

InChI=1S/C20H21N3O5/c1-11(2)17-19(25)21-15-9-14(18(24)22-28)7-8-16(15)23(17)10-12-3-5-13(6-4-12)20(26)27/h3-9,11,17,28H,10H2,1-2H3,(H,21,25)(H,22,24)(H,26,27)/t17-/m0/s1