methyl 4-[[3,5-bis(fluoranyl)phenyl]methylamino]-3-nitro-benzoate

Systemtic Name: methyl 4-[[3,5-bis(fluoranyl)phenyl]methylamino]-3-nitro-benzoate Openeye Name: methyl 4-[(3,5-difluorophenyl)methylamino]-3-nitro-benzoate CAS Name: 4-[(3,5-difluorophenyl)methylamino]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(3,5-difluorophenyl)methylamino]-3-nitrobenzoate Traditional Name: 4-[(3,5-difluorobenzyl)amino]-3-nitro-benzoic acid methyl ester Formula: C15H12F2N2O4 MolecularWeight: 322.263586

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)NCC2=CC(=CC(=C2)F)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)NCC2=CC(=CC(=C2)F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H12F2N2O4/c1-23-15(20)10-2-3-13(14(6-10)19(21)22)18-8-9-4-11(16)7-12(17)5-9/h2-7,18H,8H2,1H3