(1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl) 4-nitrobenzoate

Systemtic Name: (1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl) 4-nitrobenzoate Openeye Name: (1-methoxycarbonyl-3-methyl-butyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (1-methoxy-4-methyl-1-oxopentan-2-yl) ester IUPAC Name: (1-methoxy-4-methyl-1-oxopentan-2-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (1-carbomethoxy-3-methyl-butyl) ester Formula: C14H17NO6 MolecularWeight: 295.28788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO6/c1-9(2)8-12(14(17)20-3)21-13(16)10-4-6-11(7-5-10)15(18)19/h4-7,9,12H,8H2,1-3H3