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

Systemtic Name: 3-nitro-4-(1-pyridin-2-ylethylamino)benzoic acid Openeye Name: 3-nitro-4-[1-(2-pyridyl)ethylamino]benzoic acid CAS Name: 3-nitro-4-[1-(2-pyridinyl)ethylamino]benzoic acid IUPAC Name: 3-nitro-4-(1-pyridin-2-ylethylamino)benzoic acid Traditional Name: 3-nitro-4-[1-(2-pyridyl)ethylamino]benzoic acid Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=N1)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=N1)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

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