(3-phenoxycarbonylphenyl)methyl 2-chloranyl-4-nitro-benzoate

Systemtic Name: (3-phenoxycarbonylphenyl)methyl 2-chloranyl-4-nitro-benzoate Openeye Name: (3-phenoxycarbonylphenyl)methyl 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [3-[oxo(phenoxy)methyl]phenyl]methyl ester IUPAC Name: (3-phenoxycarbonylphenyl)methyl 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid (3-carbophenoxybenzyl) ester Formula: C21H14ClNO6 MolecularWeight: 411.79196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)COC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)COC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H14ClNO6/c22-19-12-16(23(26)27)9-10-18(19)21(25)28-13-14-5-4-6-15(11-14)20(24)29-17-7-2-1-3-8-17/h1-12H,13H2