(3-nitrophenyl)methyl 2-pyridin-4-ylquinoline-4-carboxylate

Systemtic Name: (3-nitrophenyl)methyl 2-pyridin-4-ylquinoline-4-carboxylate Openeye Name: (3-nitrophenyl)methyl 2-(4-pyridyl)quinoline-4-carboxylate CAS Name: 2-pyridin-4-yl-4-quinolinecarboxylic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 2-pyridin-4-ylquinoline-4-carboxylate Traditional Name: 2-(4-pyridyl)cinchoninic acid (3-nitrobenzyl) ester Formula: C22H15N3O4 MolecularWeight: 385.3722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)OCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)OCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H15N3O4/c26-22(29-14-15-4-3-5-17(12-15)25(27)28)19-13-21(16-8-10-23-11-9-16)24-20-7-2-1-6-18(19)20/h1-13H,14H2