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

Systemtic Name: 2-[[2-(2-methylpropyl)-1-(3-nitrophenyl)carbonyl-3-oxidanylidene-2,4-dihydroquinoxalin-6-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-isobutyl-1-(3-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[2-(2-methylpropyl)-1-[(3-nitrophenyl)-oxomethyl]-3-oxo-2,4-dihydroquinoxalin-6-yl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-(2-methylpropyl)-1-(3-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-isobutyl-3-keto-1-(3-nitrobenzoyl)-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenyl-propionic acid Formula: C29H28N4O7 MolecularWeight: 544.55522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=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)CC1C(=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/C29H28N4O7/c1-17(2)13-25-27(35)30-22-16-19(26(34)31-23(29(37)38)14-18-7-4-3-5-8-18)11-12-24(22)32(25)28(36)20-9-6-10-21(15-20)33(39)40/h3-12,15-17,23,25H,13-14H2,1-2H3,(H,30,35)(H,31,34)(H,37,38)