5-nitro-2-(2-pyridin-2-ylethylamino)benzoate

Systemtic Name: 5-nitro-2-(2-pyridin-2-ylethylamino)benzoate Openeye Name: 5-nitro-2-[2-(2-pyridyl)ethylamino]benzoate CAS Name: 5-nitro-2-[2-(2-pyridinyl)ethylamino]benzoate IUPAC Name: 5-nitro-2-(2-pyridin-2-ylethylamino)benzoate Traditional Name: 5-nitro-2-[2-(2-pyridyl)ethylamino]benzoate Formula: C14H12N3O4- MolecularWeight: 286.26278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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