[4-chloranyl-2-(phenylmethyl)phenyl] 4-methoxy-3-nitro-benzoate

Systemtic Name: [4-chloranyl-2-(phenylmethyl)phenyl] 4-methoxy-3-nitro-benzoate Openeye Name: (2-benzyl-4-chloro-phenyl) 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [4-chloro-2-(phenylmethyl)phenyl] ester IUPAC Name: (2-benzyl-4-chlorophenyl) 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid (2-benzyl-4-chloro-phenyl) ester Formula: C21H16ClNO5 MolecularWeight: 397.80844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)Cl)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)Cl)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClNO5/c1-27-20-9-7-15(13-18(20)23(25)26)21(24)28-19-10-8-17(22)12-16(19)11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3