ethyl 2-[2-(4-methylphenyl)ethynyl]-6-nitro-2H-quinoline-1-carboxylate

Systemtic Name: ethyl 2-[2-(4-methylphenyl)ethynyl]-6-nitro-2H-quinoline-1-carboxylate Openeye Name: ethyl 6-nitro-2-[2-(p-tolyl)ethynyl]-2H-quinoline-1-carboxylate CAS Name: 2-[2-(4-methylphenyl)ethynyl]-6-nitro-2H-quinoline-1-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-methylphenyl)ethynyl]-6-nitro-2H-quinoline-1-carboxylate Traditional Name: 6-nitro-2-[2-(p-tolyl)ethynyl]-2H-quinoline-1-carboxylic acid ethyl ester Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(C=CC2=C1C=CC(=C2)[N+](=O)[O-])C#CC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)N1C(C=CC2=C1C=CC(=C2)[N+](=O)[O-])C#CC3=CC=C(C=C3)C

InChI

InChI=1S/C21H18N2O4/c1-3-27-21(24)22-18(10-8-16-6-4-15(2)5-7-16)11-9-17-14-19(23(25)26)12-13-20(17)22/h4-7,9,11-14,18H,3H2,1-2H3