ethyl 2-butyl-6-nitramido-benzoate

Systemtic Name: ethyl 2-butyl-6-nitramido-benzoate Openeye Name: ethyl 2-butyl-6-nitramido-benzoate CAS Name: 2-butyl-6-nitramidobenzoic acid ethyl ester IUPAC Name: ethyl 2-butyl-6-nitramidobenzoate Traditional Name: 2-butyl-6-nitramido-benzoic acid ethyl ester Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=CC=C1)N[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCCC1=C(C(=CC=C1)N[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C13H18N2O4/c1-3-5-7-10-8-6-9-11(14-15(17)18)12(10)13(16)19-4-2/h6,8-9,14H,3-5,7H2,1-2H3