2-[[1-(3-nitrophenyl)carbonyl-3-oxidanylidene-2-propan-2-yl-2,4-dihydroquinoxalin-6-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[1-(3-nitrophenyl)carbonyl-3-oxidanylidene-2-propan-2-yl-2,4-dihydroquinoxalin-6-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-isopropyl-1-(3-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[1-[(3-nitrophenyl)-oxomethyl]-3-oxo-2-propan-2-yl-2,4-dihydroquinoxalin-6-yl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[1-(3-nitrobenzoyl)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-isopropyl-3-keto-1-(3-nitrobenzoyl)-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenyl-propionic acid Formula: C28H26N4O7 MolecularWeight: 530.52864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)NC2=C(N1C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C=CC(=C2)C(=O)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)C1C(=O)NC2=C(N1C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C=CC(=C2)C(=O)NC(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H26N4O7/c1-16(2)24-26(34)29-21-15-18(25(33)30-22(28(36)37)13-17-7-4-3-5-8-17)11-12-23(21)31(24)27(35)19-9-6-10-20(14-19)32(38)39/h3-12,14-16,22,24H,13H2,1-2H3,(H,29,34)(H,30,33)(H,36,37)