ethyl 3-chloranyl-5-[(2,4,6-trinitrophenyl)amino]benzoate

Systemtic Name: ethyl 3-chloranyl-5-[(2,4,6-trinitrophenyl)amino]benzoate Openeye Name: ethyl 3-chloro-5-(2,4,6-trinitroanilino)benzoate CAS Name: 3-chloro-5-(2,4,6-trinitroanilino)benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-5-(2,4,6-trinitroanilino)benzoate Traditional Name: 3-chloro-5-(2,4,6-trinitroanilino)benzoic acid ethyl ester Formula: C15H11ClN4O8 MolecularWeight: 410.72284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11ClN4O8/c1-2-28-15(21)8-3-9(16)5-10(4-8)17-14-12(19(24)25)6-11(18(22)23)7-13(14)20(26)27/h3-7,17H,2H2,1H3