tetradecan-3-yl 4-nitrobenzoate

Systemtic Name: tetradecan-3-yl 4-nitrobenzoate Openeye Name: 1-ethyldodecyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid tetradecan-3-yl ester IUPAC Name: tetradecan-3-yl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 1-ethyldodecyl ester Formula: C21H33NO4 MolecularWeight: 363.49102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33NO4/c1-3-5-6-7-8-9-10-11-12-13-20(4-2)26-21(23)18-14-16-19(17-15-18)22(24)25/h14-17,20H,3-13H2,1-2H3