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

Systemtic Name: ethyl 3-[(3-nitropyridin-4-yl)amino]benzoate hydrochloride Openeye Name: ethyl 3-[(3-nitro-4-pyridyl)amino]benzoate hydrochloride CAS Name: 3-[(3-nitro-4-pyridinyl)amino]benzoic acid ethyl ester hydrochloride IUPAC Name: ethyl 3-[(3-nitropyridin-4-yl)amino]benzoate hydrochloride Traditional Name: 3-[(3-nitro-4-pyridyl)amino]benzoic acid ethyl ester hydrochloride Formula: C14H14ClN3O4 MolecularWeight: 323.73166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O4.ClH/c1-2-21-14(18)10-4-3-5-11(8-10)16-12-6-7-15-9-13(12)17(19)20;/h3-9H,2H2,1H3,(H,15,16);1H