[2-[3-methyl-4-(4-nitrophenoxy)phenyl]-2-oxidanylidene-ethyl] 6-chloranyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-[3-methyl-4-(4-nitrophenoxy)phenyl]-2-oxidanylidene-ethyl] 6-chloranyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-[3-methyl-4-(4-nitrophenoxy)phenyl]-2-oxo-ethyl] 6-chloro-2-phenyl-quinoline-4-carboxylate CAS Name: 6-chloro-2-phenyl-4-quinolinecarboxylic acid [2-[3-methyl-4-(4-nitrophenoxy)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[3-methyl-4-(4-nitrophenoxy)phenyl]-2-oxoethyl] 6-chloro-2-phenylquinoline-4-carboxylate Traditional Name: 6-chloro-2-phenyl-cinchoninic acid [2-keto-2-[3-methyl-4-(4-nitrophenoxy)phenyl]ethyl] ester Formula: C31H21ClN2O6 MolecularWeight: 552.96124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4)OC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4)OC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H21ClN2O6/c1-19-15-21(7-14-30(19)40-24-11-9-23(10-12-24)34(37)38)29(35)18-39-31(36)26-17-28(20-5-3-2-4-6-20)33-27-13-8-22(32)16-25(26)27/h2-17H,18H2,1H3