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

Systemtic Name: 2-(hexylamino)-5-nitro-benzoic acid Openeye Name: 2-(hexylamino)-5-nitro-benzoic acid CAS Name: 2-(hexylamino)-5-nitrobenzoic acid IUPAC Name: 2-(hexylamino)-5-nitrobenzoic acid Traditional Name: 2-(hexylamino)-5-nitro-benzoic acid Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCCCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

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