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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCNC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)CCNC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O4/c18-14(19)10-4-5-12(13(9-10)17(20)21)16-8-6-11-3-1-2-7-15-11/h1-5,7,9,16H,6,8H2,(H,18,19)