ethyl 3-[(2,4,6-trinitrophenyl)amino]benzoate

Systemtic Name: ethyl 3-[(2,4,6-trinitrophenyl)amino]benzoate Openeye Name: ethyl 3-(2,4,6-trinitroanilino)benzoate CAS Name: 3-(2,4,6-trinitroanilino)benzoic acid ethyl ester IUPAC Name: ethyl 3-(2,4,6-trinitroanilino)benzoate Traditional Name: 3-(2,4,6-trinitroanilino)benzoic acid ethyl ester Formula: C15H12N4O8 MolecularWeight: 376.27778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N4O8/c1-2-27-15(20)9-4-3-5-10(6-9)16-14-12(18(23)24)7-11(17(21)22)8-13(14)19(25)26/h3-8,16H,2H2,1H3