2-(butylamino)ethyl 3-nitrobenzoate

Systemtic Name: 2-(butylamino)ethyl 3-nitrobenzoate Openeye Name: 2-(butylamino)ethyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid 2-(butylamino)ethyl ester IUPAC Name: 2-(butylamino)ethyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid 2-(butylamino)ethyl ester Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4/c1-2-3-7-14-8-9-19-13(16)11-5-4-6-12(10-11)15(17)18/h4-6,10,14H,2-3,7-9H2,1H3