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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C(C=CC2=CC=CC=C21)CC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)N1C(C=CC2=CC=CC=C21)CC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

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