(3,3-dimethyl-2-oxidanylidene-butyl) 3-nitro-4-[(phenylmethyl)amino]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-nitro-4-[(phenylmethyl)amino]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-(benzylamino)-3-nitro-benzoate CAS Name: 3-nitro-4-[(phenylmethyl)amino]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-(benzylamino)-3-nitrobenzoate Traditional Name: 4-(benzylamino)-3-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=CC(=C(C=C1)NCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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