2-(hexylamino)ethyl 4-nitrobenzoate

Systemtic Name: 2-(hexylamino)ethyl 4-nitrobenzoate Openeye Name: 2-(hexylamino)ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-(hexylamino)ethyl ester IUPAC Name: 2-(hexylamino)ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-(hexylamino)ethyl ester Formula: C15H22N2O4 MolecularWeight: 294.34618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O4/c1-2-3-4-5-10-16-11-12-21-15(18)13-6-8-14(9-7-13)17(19)20/h6-9,16H,2-5,10-12H2,1H3