2-nitro-5-(pyridin-4-ylmethylamino)benzoic acid

Systemtic Name: 2-nitro-5-(pyridin-4-ylmethylamino)benzoic acid Openeye Name: 2-nitro-5-(4-pyridylmethylamino)benzoic acid CAS Name: 2-nitro-5-(pyridin-4-ylmethylamino)benzoic acid IUPAC Name: 2-nitro-5-(pyridin-4-ylmethylamino)benzoic acid Traditional Name: 2-nitro-5-(4-pyridylmethylamino)benzoic acid Formula: C13H11N3O4 MolecularWeight: 273.24414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NCC2=CC=NC=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1NCC2=CC=NC=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O4/c17-13(18)11-7-10(1-2-12(11)16(19)20)15-8-9-3-5-14-6-4-9/h1-7,15H,8H2,(H,17,18)