(3,3-dimethyl-2-oxidanylidene-butyl) 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C16H21NO7 MolecularWeight: 339.34044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)C(C)(C)C)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)C(C)(C)C)[N+](=O)[O-])OC

InChI

InChI=1S/C16H21NO7/c1-6-23-13-7-10(11(17(20)21)8-12(13)22-5)15(19)24-9-14(18)16(2,3)4/h7-8H,6,9H2,1-5H3