5-nitro-2-(1-pyridin-4-ylethylamino)benzoic acid

Systemtic Name: 5-nitro-2-(1-pyridin-4-ylethylamino)benzoic acid Openeye Name: 5-nitro-2-[1-(4-pyridyl)ethylamino]benzoic acid CAS Name: 5-nitro-2-(1-pyridin-4-ylethylamino)benzoic acid IUPAC Name: 5-nitro-2-(1-pyridin-4-ylethylamino)benzoic acid Traditional Name: 5-nitro-2-[1-(4-pyridyl)ethylamino]benzoic acid Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=NC=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C1=CC=NC=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H13N3O4/c1-9(10-4-6-15-7-5-10)16-13-3-2-11(17(20)21)8-12(13)14(18)19/h2-9,16H,1H3,(H,18,19)