methyl 3-nitro-5-[[1-(2-nitrophenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]carbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[[1-(2-nitrophenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]carbamoyl]benzoate Openeye Name: methyl 3-[[3-isopropoxy-1-(2-nitrophenyl)-3-oxo-propyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-nitro-5-[[[1-(2-nitrophenyl)-3-oxo-3-propan-2-yloxypropyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[[1-(2-nitrophenyl)-3-oxo-3-propan-2-yloxypropyl]carbamoyl]benzoate Traditional Name: 3-[[3-isopropoxy-3-keto-1-(2-nitrophenyl)propyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C21H21N3O9 MolecularWeight: 459.40614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O9/c1-12(2)33-19(25)11-17(16-6-4-5-7-18(16)24(30)31)22-20(26)13-8-14(21(27)32-3)10-15(9-13)23(28)29/h4-10,12,17H,11H2,1-3H3,(H,22,26)