3-nitro-4-(pyridin-2-ylmethylamino)benzoate

Systemtic Name: 3-nitro-4-(pyridin-2-ylmethylamino)benzoate Openeye Name: 3-nitro-4-(2-pyridylmethylamino)benzoate CAS Name: 3-nitro-4-(2-pyridinylmethylamino)benzoate IUPAC Name: 3-nitro-4-(pyridin-2-ylmethylamino)benzoate Traditional Name: 3-nitro-4-(2-pyridylmethylamino)benzoate Formula: C13H10N3O4- MolecularWeight: 272.2362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNC2=C(C=C(C=C2)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)CNC2=C(C=C(C=C2)C(=O)[O-])[N+](=O)[O-]

InChI

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