3-[(3-nitropyridin-4-yl)amino]benzoate hydrochloride

Systemtic Name: 3-[(3-nitropyridin-4-yl)amino]benzoate hydrochloride Openeye Name: 3-[(3-nitro-4-pyridyl)amino]benzoate hydrochloride CAS Name: 3-[(3-nitro-4-pyridinyl)amino]benzoate hydrochloride IUPAC Name: 3-[(3-nitropyridin-4-yl)amino]benzoate hydrochloride Traditional Name: 3-[(3-nitro-4-pyridyl)amino]benzoate hydrochloride Formula: C12H9ClN3O4- MolecularWeight: 294.67056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=C(C=NC=C2)[N+](=O)[O-])C(=O)[O-].Cl

Isomeric SMILES

C1=CC(=CC(=C1)NC2=C(C=NC=C2)[N+](=O)[O-])C(=O)[O-].Cl

InChI

InChI=1S/C12H9N3O4.ClH/c16-12(17)8-2-1-3-9(6-8)14-10-4-5-13-7-11(10)15(18)19;/h1-7H,(H,13,14)(H,16,17);1H/p-1