methyl 3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[methyl(1,2,2-trimethylpropyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[3,3-dimethylbutan-2-yl(methyl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[methyl(1,2,2-trimethylpropyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5/c1-10(16(2,3)4)17(5)14(19)11-7-12(15(20)23-6)9-13(8-11)18(21)22/h7-10H,1-6H3