(3-nitrophenyl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: (3-nitrophenyl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: (3-nitrophenyl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid (3-nitrobenzyl) ester Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O4/c1-3-17-13(2)19(16-9-4-5-10-18(16)21-17)20(23)26-12-14-7-6-8-15(11-14)22(24)25/h4-11H,3,12H2,1-2H3