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

Systemtic Name: methyl 2-[[3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]phenyl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl 3-hydroxy-2-[[3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidyl]benzoyl]amino]propanoate CAS Name: 3-hydroxy-2-[[[3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidinyl]phenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[[3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzoyl]amino]propanoate Traditional Name: 3-hydroxy-2-[[4-[4-(2-keto-4H-3,1-benzoxazin-1-yl)piperidino]-3-nitro-benzoyl]amino]propionic acid methyl ester Formula: C24H26N4O8 MolecularWeight: 498.48524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O8/c1-35-23(31)18(13-29)25-22(30)15-6-7-20(21(12-15)28(33)34)26-10-8-17(9-11-26)27-19-5-3-2-4-16(19)14-36-24(27)32/h2-7,12,17-18,29H,8-11,13-14H2,1H3,(H,25,30)