ethyl 4-[(3,5-dinitropyridin-4-yl)amino]benzoate

Systemtic Name: ethyl 4-[(3,5-dinitropyridin-4-yl)amino]benzoate Openeye Name: ethyl 4-[(3,5-dinitro-4-pyridyl)amino]benzoate CAS Name: 4-[(3,5-dinitro-4-pyridinyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3,5-dinitropyridin-4-yl)amino]benzoate Traditional Name: 4-[(3,5-dinitro-4-pyridyl)amino]benzoic acid ethyl ester Formula: C14H12N4O6 MolecularWeight: 332.26828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N4O6/c1-2-24-14(19)9-3-5-10(6-4-9)16-13-11(17(20)21)7-15-8-12(13)18(22)23/h3-8H,2H2,1H3,(H,15,16)