tridecan-3-yl 4-nitrobenzoate

Systemtic Name: tridecan-3-yl 4-nitrobenzoate Openeye Name: 1-ethylundecyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid tridecan-3-yl ester IUPAC Name: tridecan-3-yl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 1-ethylundecyl ester Formula: C20H31NO4 MolecularWeight: 349.46444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO4/c1-3-5-6-7-8-9-10-11-12-19(4-2)25-20(22)17-13-15-18(16-14-17)21(23)24/h13-16,19H,3-12H2,1-2H3