[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O5/c1-3-8-19-17(4-2)22(18-11-5-6-12-20(18)24-19)23(27)30-14-21(26)15-9-7-10-16(13-15)25(28)29/h5-7,9-13H,3-4,8,14H2,1-2H3