phenyl 6-nitro-2-(2-phenylethynyl)-2H-quinoline-1-carboxylate

Systemtic Name: phenyl 6-nitro-2-(2-phenylethynyl)-2H-quinoline-1-carboxylate Openeye Name: phenyl 6-nitro-2-(2-phenylethynyl)-2H-quinoline-1-carboxylate CAS Name: 6-nitro-2-(2-phenylethynyl)-2H-quinoline-1-carboxylic acid phenyl ester IUPAC Name: phenyl 6-nitro-2-(2-phenylethynyl)-2H-quinoline-1-carboxylate Traditional Name: 6-nitro-2-(2-phenylethynyl)-2H-quinoline-1-carboxylic acid phenyl ester Formula: C24H16N2O4 MolecularWeight: 396.39484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2C=CC3=C(N2C(=O)OC4=CC=CC=C4)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C#CC2C=CC3=C(N2C(=O)OC4=CC=CC=C4)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H16N2O4/c27-24(30-22-9-5-2-6-10-22)25-20(13-11-18-7-3-1-4-8-18)14-12-19-17-21(26(28)29)15-16-23(19)25/h1-10,12,14-17,20H