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

Systemtic Name: 5-nitro-2-(pyridin-3-ylmethylamino)benzoate Openeye Name: 5-nitro-2-(3-pyridylmethylamino)benzoate CAS Name: 5-nitro-2-(3-pyridinylmethylamino)benzoate IUPAC Name: 5-nitro-2-(pyridin-3-ylmethylamino)benzoate Traditional Name: 5-nitro-2-(3-pyridylmethylamino)benzoate Formula: C13H10N3O4- MolecularWeight: 272.2362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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