methyl 3-nitro-5-(2,4,4-trimethylpentan-2-ylcarbamoyl)benzoate

Systemtic Name: methyl 3-nitro-5-(2,4,4-trimethylpentan-2-ylcarbamoyl)benzoate Openeye Name: methyl 3-nitro-5-(1,1,3,3-tetramethylbutylcarbamoyl)benzoate CAS Name: 3-nitro-5-[oxo-(2,4,4-trimethylpentan-2-ylamino)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-(2,4,4-trimethylpentan-2-ylcarbamoyl)benzoate Traditional Name: 3-nitro-5-(1,1,3,3-tetramethylbutylcarbamoyl)benzoic acid methyl ester Formula: C17H24N2O5 MolecularWeight: 336.38286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O5/c1-16(2,3)10-17(4,5)18-14(20)11-7-12(15(21)24-6)9-13(8-11)19(22)23/h7-9H,10H2,1-6H3,(H,18,20)