(3,3-dimethyl-2-oxidanylidene-butyl) 4-(methylamino)-3-nitro-benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-(methylamino)-3-nitro-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5/c1-14(2,3)12(17)8-21-13(18)9-5-6-10(15-4)11(7-9)16(19)20/h5-7,15H,8H2,1-4H3