(2-oxidanylidene-2-propan-2-yloxy-ethyl) 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate

Systemtic Name: (2-oxidanylidene-2-propan-2-yloxy-ethyl) 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate Openeye Name: (2-isopropoxy-2-oxo-ethyl) 2-[4-(methylamino)-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]-oxomethyl]benzoic acid (2-oxo-2-propan-2-yloxyethyl) ester IUPAC Name: (2-oxo-2-propan-2-yloxyethyl) 2-[4-(methylamino)-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-(methylamino)-3-nitro-benzoyl]benzoic acid (2-isopropoxy-2-keto-ethyl) ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O7/c1-12(2)29-18(23)11-28-20(25)15-7-5-4-6-14(15)19(24)13-8-9-16(21-3)17(10-13)22(26)27/h4-10,12,21H,11H2,1-3H3