2-(butylamino)ethyl 4-methyl-3-nitro-benzoate

Systemtic Name: 2-(butylamino)ethyl 4-methyl-3-nitro-benzoate Openeye Name: 2-(butylamino)ethyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid 2-(butylamino)ethyl ester IUPAC Name: 2-(butylamino)ethyl 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid 2-(butylamino)ethyl ester Formula: C14H20N2O4 MolecularWeight: 280.3196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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