phenyl-[1-[(2,4,6-trinitrophenyl)methyl]-1H-isoquinolin-2-yl]methanone

Systemtic Name: phenyl-[1-[(2,4,6-trinitrophenyl)methyl]-1H-isoquinolin-2-yl]methanone Openeye Name: phenyl-[1-[(2,4,6-trinitrophenyl)methyl]-1H-isoquinolin-2-yl]methanone CAS Name: phenyl-[1-[(2,4,6-trinitrophenyl)methyl]-1H-isoquinolin-2-yl]methanone IUPAC Name: phenyl-[1-[(2,4,6-trinitrophenyl)methyl]-1H-isoquinolin-2-yl]methanone Traditional Name: phenyl-[1-(2,4,6-trinitrobenzyl)-1H-isoquinolin-2-yl]methanone Formula: C23H16N4O7 MolecularWeight: 460.39574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C3C2CC4=C(C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C3C2CC4=C(C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H16N4O7/c28-23(16-7-2-1-3-8-16)24-11-10-15-6-4-5-9-18(15)20(24)14-19-21(26(31)32)12-17(25(29)30)13-22(19)27(33)34/h1-13,20H,14H2