tert-butyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-4-phenylmethoxy-butanoyl]-3-nitro-benzoate

Systemtic Name: tert-butyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-4-phenylmethoxy-butanoyl]-3-nitro-benzoate Openeye Name: tert-butyl 4-[4-benzyloxy-3-(tert-butoxycarbonylamino)-4-oxo-butanoyl]-3-nitro-benzoate CAS Name: 4-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,4-dioxo-4-phenylmethoxybutyl]-3-nitrobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylmethoxybutanoyl]-3-nitrobenzoate Traditional Name: 4-[4-benzoxy-3-(tert-butoxycarbonylamino)-4-keto-butanoyl]-3-nitro-benzoic acid tert-butyl ester Formula: C27H32N2O9 MolecularWeight: 528.55098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C=C1)C(=O)CC(C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C=C1)C(=O)CC(C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C27H32N2O9/c1-26(2,3)37-23(31)18-12-13-19(21(14-18)29(34)35)22(30)15-20(28-25(33)38-27(4,5)6)24(32)36-16-17-10-8-7-9-11-17/h7-14,20H,15-16H2,1-6H3,(H,28,33)