2,4-dinitrophenol; ethyl 1-azanyl-2H-pyridine-4-carboxylate

Systemtic Name: 2,4-dinitrophenol; ethyl 1-azanyl-2H-pyridine-4-carboxylate Openeye Name: 2,4-dinitrophenol; ethyl 1-amino-2H-pyridine-4-carboxylate CAS Name: 1-amino-2H-pyridine-4-carboxylic acid ethyl ester; 2,4-dinitrophenol IUPAC Name: 2,4-dinitrophenol; ethyl 1-amino-2H-pyridine-4-carboxylate Traditional Name: 1-amino-2H-pyridine-4-carboxylic acid ethyl ester; 2,4-dinitrophenol Formula: C14H16N4O7 MolecularWeight: 352.29944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CCN(C=C1)N.C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

CCOC(=O)C1=CCN(C=C1)N.C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C8H12N2O2.C6H4N2O5/c1-2-12-8(11)7-3-5-10(9)6-4-7;9-6-2-1-4(7(10)11)3-5(6)8(12)13/h3-5H,2,6,9H2,1H3;1-3,9H