[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 9H-xanthene-9-carboxylate

Systemtic Name: [(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 9H-xanthene-9-carboxylate Openeye Name: [(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [(1R)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C24H18N2O4 MolecularWeight: 398.41072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)OC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C#N)OC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

InChI

InChI=1S/C24H18N2O4/c1-15(23(27)26-17-12-10-16(14-25)11-13-17)29-24(28)22-18-6-2-4-8-20(18)30-21-9-5-3-7-19(21)22/h2-13,15,22H,1H3,(H,26,27)/t15-/m1/s1