2-(pentylamino)ethyl 3-nitrobenzoate

Systemtic Name: 2-(pentylamino)ethyl 3-nitrobenzoate Openeye Name: 2-(pentylamino)ethyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid 2-(pentylamino)ethyl ester IUPAC Name: 2-(pentylamino)ethyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid 2-(amylamino)ethyl ester Formula: C14H20N2O4 MolecularWeight: 280.3196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNCCOC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCNCCOC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H20N2O4/c1-2-3-4-8-15-9-10-20-14(17)12-6-5-7-13(11-12)16(18)19/h5-7,11,15H,2-4,8-10H2,1H3