1-(2-chloranyl-5-nitro-phenyl)-3,4-dihydroisoquinolin-2-ium

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3,4-dihydroisoquinolin-2-ium Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3,4-dihydroisoquinolin-2-ium CAS Name: 1-(2-chloro-5-nitrophenyl)-3,4-dihydroisoquinolin-2-ium IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3,4-dihydroisoquinolin-2-ium Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3,4-dihydroisoquinolin-2-ium Formula: C15H12ClN2O2+ MolecularWeight: 287.72098

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]=C(C2=CC=CC=C21)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1C[NH+]=C(C2=CC=CC=C21)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H11ClN2O2/c16-14-6-5-11(18(19)20)9-13(14)15-12-4-2-1-3-10(12)7-8-17-15/h1-6,9H,7-8H2/p+1