3-methyl-2-[[3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]phenyl]carbonylamino]butanoic acid

Systemtic Name: 3-methyl-2-[[3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]phenyl]carbonylamino]butanoic acid Openeye Name: 3-methyl-2-[[3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidyl]benzoyl]amino]butanoic acid CAS Name: 3-methyl-2-[[[3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidinyl]phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzoyl]amino]butanoic acid Traditional Name: 2-[[4-[4-(2-keto-4H-3,1-benzoxazin-1-yl)piperidino]-3-nitro-benzoyl]amino]-3-methyl-butyric acid Formula: C25H28N4O7 MolecularWeight: 496.51242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=CC(=C(C=C1)N2CCC(CC2)N3C4=CC=CC=C4COC3=O)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C1=CC(=C(C=C1)N2CCC(CC2)N3C4=CC=CC=C4COC3=O)[N+](=O)[O-]

InChI

InChI=1S/C25H28N4O7/c1-15(2)22(24(31)32)26-23(30)16-7-8-20(21(13-16)29(34)35)27-11-9-18(10-12-27)28-19-6-4-3-5-17(19)14-36-25(28)33/h3-8,13,15,18,22H,9-12,14H2,1-2H3,(H,26,30)(H,31,32)