methyl 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-[(tert-butylamino)-oxomethyl]anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H21N3O6/c1-20(2,3)22-18(25)15-7-5-6-8-16(15)21-17(24)12-9-13(19(26)29-4)11-14(10-12)23(27)28/h5-11H,1-4H3,(H,21,24)(H,22,25)