[2-[4-(4-chloranyl-2-nitro-phenoxy)phenyl]-2-oxidanylidene-ethyl] 9H-xanthene-9-carboxylate

Systemtic Name: [2-[4-(4-chloranyl-2-nitro-phenoxy)phenyl]-2-oxidanylidene-ethyl] 9H-xanthene-9-carboxylate Openeye Name: [2-[4-(4-chloro-2-nitro-phenoxy)phenyl]-2-oxo-ethyl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [2-[4-(4-chloro-2-nitrophenoxy)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-chloro-2-nitrophenoxy)phenyl]-2-oxoethyl] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [2-[4-(4-chloro-2-nitro-phenoxy)phenyl]-2-keto-ethyl] ester Formula: C28H18ClNO7 MolecularWeight: 515.89802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)OCC(=O)C4=CC=C(C=C4)OC5=C(C=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)OCC(=O)C4=CC=C(C=C4)OC5=C(C=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C28H18ClNO7/c29-18-11-14-26(22(15-18)30(33)34)36-19-12-9-17(10-13-19)23(31)16-35-28(32)27-20-5-1-3-7-24(20)37-25-8-4-2-6-21(25)27/h1-15,27H,16H2