2-methylnonan-2-yl 4-nitrobenzoate

Systemtic Name: 2-methylnonan-2-yl 4-nitrobenzoate Openeye Name: 1,1-dimethyloctyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-methylnonan-2-yl ester IUPAC Name: 2-methylnonan-2-yl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 1,1-dimethyloctyl ester Formula: C17H25NO4 MolecularWeight: 307.3847

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO4/c1-4-5-6-7-8-13-17(2,3)22-16(19)14-9-11-15(12-10-14)18(20)21/h9-12H,4-8,13H2,1-3H3