2-(butylamino)-5-nitro-benzoic acid

Systemtic Name: 2-(butylamino)-5-nitro-benzoic acid Openeye Name: 2-(butylamino)-5-nitro-benzoic acid CAS Name: 2-(butylamino)-5-nitrobenzoic acid IUPAC Name: 2-(butylamino)-5-nitrobenzoic acid Traditional Name: 2-(butylamino)-5-nitro-benzoic acid Formula: C11H14N2O4 MolecularWeight: 238.23986

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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)