(4-nitrophenyl)methyl quinoline-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl quinoline-2-carboxylate Openeye Name: (4-nitrophenyl)methyl quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl quinoline-2-carboxylate Traditional Name: quinaldic acid (4-nitrobenzyl) ester Formula: C17H12N2O4 MolecularWeight: 308.28818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O4/c20-17(16-10-7-13-3-1-2-4-15(13)18-16)23-11-12-5-8-14(9-6-12)19(21)22/h1-10H,11H2