5-nitro-3-(1-phenylhept-2-ynyl)-1H-indole

Systemtic Name: 5-nitro-3-(1-phenylhept-2-ynyl)-1H-indole Openeye Name: 5-nitro-3-(1-phenylhept-2-ynyl)-1H-indole CAS Name: 5-nitro-3-(1-phenylhept-2-ynyl)-1H-indole IUPAC Name: 5-nitro-3-(1-phenylhept-2-ynyl)-1H-indole Traditional Name: 5-nitro-3-(1-phenylhept-2-ynyl)-1H-indole Formula: C21H20N2O2 MolecularWeight: 332.3957

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(C1=CC=CC=C1)C2=CNC3=C2C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC#CC(C1=CC=CC=C1)C2=CNC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O2/c1-2-3-4-8-11-18(16-9-6-5-7-10-16)20-15-22-21-13-12-17(23(24)25)14-19(20)21/h5-7,9-10,12-15,18,22H,2-4H2,1H3