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

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

CCCC1C(=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

CCCC1C(=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/c1-2-7-24-26(34)29-21-16-18(25(33)30-22(28(36)37)14-17-8-4-3-5-9-17)12-13-23(21)31(24)27(35)19-10-6-11-20(15-19)32(38)39/h3-6,8-13,15-16,22,24H,2,7,14H2,1H3,(H,29,34)(H,30,33)(H,36,37)