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

Systemtic Name: methyl 4-ethyl-3-[(2,4,6-trinitrophenyl)amino]benzoate Openeye Name: methyl 4-ethyl-3-(2,4,6-trinitroanilino)benzoate CAS Name: 4-ethyl-3-(2,4,6-trinitroanilino)benzoic acid methyl ester IUPAC Name: methyl 4-ethyl-3-(2,4,6-trinitroanilino)benzoate Traditional Name: 4-ethyl-3-(2,4,6-trinitroanilino)benzoic acid methyl ester Formula: C16H14N4O8 MolecularWeight: 390.30436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)OC)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)OC)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O8/c1-3-9-4-5-10(16(21)28-2)6-12(9)17-15-13(19(24)25)7-11(18(22)23)8-14(15)20(26)27/h4-8,17H,3H2,1-2H3