[2-(5-nitronaphthalen-1-yl)-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-(5-nitronaphthalen-1-yl)-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-(5-nitro-1-naphthyl)-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-(5-nitro-1-naphthalenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-nitronaphthalen-1-yl)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-keto-2-(5-nitro-1-naphthyl)ethyl] ester Formula: C25H20N2O5 MolecularWeight: 428.4367

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)C3=CC=CC4=C3C=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)C3=CC=CC4=C3C=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C25H20N2O5/c1-3-20-15(2)24(19-8-4-5-12-21(19)26-20)25(29)32-14-23(28)18-11-6-10-17-16(18)9-7-13-22(17)27(30)31/h4-13H,3,14H2,1-2H3