2-(butylamino)-5-nitro-benzoate

Systemtic Name: 2-(butylamino)-5-nitro-benzoate Openeye Name: 2-(butylamino)-5-nitro-benzoate CAS Name: 2-(butylamino)-5-nitrobenzoate IUPAC Name: 2-(butylamino)-5-nitrobenzoate Traditional Name: 2-(butylamino)-5-nitro-benzoate Formula: C11H13N2O4- MolecularWeight: 237.23192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C11H14N2O4/c1-2-3-6-12-10-5-4-8(13(16)17)7-9(10)11(14)15/h4-5,7,12H,2-3,6H2,1H3,(H,14,15)/p-1