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

Systemtic Name: (3-nitrophenyl)methyl 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: (3-nitrophenyl)methyl 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid (3-nitrobenzyl) ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O4/c1-3-8-19-17(4-2)21(18-11-5-6-12-20(18)23-19)22(25)28-14-15-9-7-10-16(13-15)24(26)27/h5-7,9-13H,3-4,8,14H2,1-2H3