(3-fluoranyl-4-methoxy-phenyl)methyl 3-nitro-4-[(phenylmethyl)amino]benzoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 3-nitro-4-[(phenylmethyl)amino]benzoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 4-(benzylamino)-3-nitro-benzoate CAS Name: 3-nitro-4-[(phenylmethyl)amino]benzoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 4-(benzylamino)-3-nitrobenzoate Traditional Name: 4-(benzylamino)-3-nitro-benzoic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C22H19FN2O5 MolecularWeight: 410.395063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-])F

InChI

InChI=1S/C22H19FN2O5/c1-29-21-10-7-16(11-18(21)23)14-30-22(26)17-8-9-19(20(12-17)25(27)28)24-13-15-5-3-2-4-6-15/h2-12,24H,13-14H2,1H3