4-fluoranyl-N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-2-nitro-aniline

Systemtic Name: 4-fluoranyl-N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-2-nitro-aniline Openeye Name: N-[(4-benzyloxy-3-methoxy-phenyl)methyl]-4-fluoro-2-nitro-aniline CAS Name: 4-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-nitroaniline IUPAC Name: 4-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-nitroaniline Traditional Name: (4-benzoxy-3-methoxy-benzyl)-(4-fluoro-2-nitro-phenyl)amine Formula: C21H19FN2O4 MolecularWeight: 382.384963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC2=C(C=C(C=C2)F)[N+](=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)CNC2=C(C=C(C=C2)F)[N+](=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C21H19FN2O4/c1-27-21-11-16(7-10-20(21)28-14-15-5-3-2-4-6-15)13-23-18-9-8-17(22)12-19(18)24(25)26/h2-12,23H,13-14H2,1H3