[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-(5-tert-butyl-2,3-dimethyl-phenyl)quinoline-4-carboxylate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-(5-tert-butyl-2,3-dimethyl-phenyl)quinoline-4-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 2-(5-tert-butyl-2,3-dimethyl-phenyl)quinoline-4-carboxylate CAS Name: 2-(5-tert-butyl-2,3-dimethylphenyl)-4-quinolinecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 2-(5-tert-butyl-2,3-dimethylphenyl)quinoline-4-carboxylate Traditional Name: 2-(5-tert-butyl-2,3-dimethyl-phenyl)cinchoninic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C30H28N2O5 MolecularWeight: 496.55372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(C)(C)C)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(C)(C)C)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C30H28N2O5/c1-18-13-21(30(3,4)5)15-24(19(18)2)27-16-25(23-11-6-7-12-26(23)31-27)29(34)37-17-28(33)20-9-8-10-22(14-20)32(35)36/h6-16H,17H2,1-5H3