4-[[3,5-bis(fluoranyl)phenyl]methylamino]-3-nitro-benzoic acid

Systemtic Name: 4-[[3,5-bis(fluoranyl)phenyl]methylamino]-3-nitro-benzoic acid Openeye Name: 4-[(3,5-difluorophenyl)methylamino]-3-nitro-benzoic acid CAS Name: 4-[(3,5-difluorophenyl)methylamino]-3-nitrobenzoic acid IUPAC Name: 4-[(3,5-difluorophenyl)methylamino]-3-nitrobenzoic acid Traditional Name: 4-[(3,5-difluorobenzyl)amino]-3-nitro-benzoic acid Formula: C14H10F2N2O4 MolecularWeight: 308.237006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])NCC2=CC(=CC(=C2)F)F

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])NCC2=CC(=CC(=C2)F)F

InChI

InChI=1S/C14H10F2N2O4/c15-10-3-8(4-11(16)6-10)7-17-12-2-1-9(14(19)20)5-13(12)18(21)22/h1-6,17H,7H2,(H,19,20)