(3,3-dimethyl-2-oxidanylidene-butyl) 5-nitro-2-[(phenylmethyl)amino]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 5-nitro-2-[(phenylmethyl)amino]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(benzylamino)-5-nitro-benzoate CAS Name: 5-nitro-2-[(phenylmethyl)amino]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(benzylamino)-5-nitrobenzoate Traditional Name: 2-(benzylamino)-5-nitro-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O5/c1-20(2,3)18(23)13-27-19(24)16-11-15(22(25)26)9-10-17(16)21-12-14-7-5-4-6-8-14/h4-11,21H,12-13H2,1-3H3