(3-nitrophenyl)methyl 9H-xanthene-9-carboxylate

Systemtic Name: (3-nitrophenyl)methyl 9H-xanthene-9-carboxylate Openeye Name: (3-nitrophenyl)methyl 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid (3-nitrobenzyl) ester Formula: C21H15NO5 MolecularWeight: 361.3475

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)OCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)OCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15NO5/c23-21(26-13-14-6-5-7-15(12-14)22(24)25)20-16-8-1-3-10-18(16)27-19-11-4-2-9-17(19)20/h1-12,20H,13H2