methyl 1-[(2,4,6-trinitrophenyl)methyl]-1H-isoquinoline-2-carboxylate

Systemtic Name: methyl 1-[(2,4,6-trinitrophenyl)methyl]-1H-isoquinoline-2-carboxylate Openeye Name: methyl 1-[(2,4,6-trinitrophenyl)methyl]-1H-isoquinoline-2-carboxylate CAS Name: 1-[(2,4,6-trinitrophenyl)methyl]-1H-isoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl 1-[(2,4,6-trinitrophenyl)methyl]-1H-isoquinoline-2-carboxylate Traditional Name: 1-(2,4,6-trinitrobenzyl)-1H-isoquinoline-2-carboxylic acid methyl ester Formula: C18H14N4O8 MolecularWeight: 414.32576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C=CC2=CC=CC=C2C1CC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)N1C=CC2=CC=CC=C2C1CC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O8/c1-30-18(23)19-7-6-11-4-2-3-5-13(11)15(19)10-14-16(21(26)27)8-12(20(24)25)9-17(14)22(28)29/h2-9,15H,10H2,1H3