4-nitrobutyl 5-azanyl-2-oxidanyl-benzoate

Systemtic Name: 4-nitrobutyl 5-azanyl-2-oxidanyl-benzoate Openeye Name: 4-nitrobutyl 5-amino-2-hydroxy-benzoate CAS Name: 5-amino-2-hydroxybenzoic acid 4-nitrobutyl ester IUPAC Name: 4-nitrobutyl 5-amino-2-hydroxybenzoate Traditional Name: 5-amino-2-hydroxy-benzoic acid 4-nitrobutyl ester Formula: C11H14N2O5 MolecularWeight: 254.23926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)C(=O)OCCCC[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1N)C(=O)OCCCC[N+](=O)[O-])O

InChI

InChI=1S/C11H14N2O5/c12-8-3-4-10(14)9(7-8)11(15)18-6-2-1-5-13(16)17/h3-4,7,14H,1-2,5-6,12H2