7-[2-[3,4-bis(fluoranyl)phenyl]ethyl]-3-nitro-10H-phenoxazine-1-carboxylic acid

Systemtic Name: 7-[2-[3,4-bis(fluoranyl)phenyl]ethyl]-3-nitro-10H-phenoxazine-1-carboxylic acid Openeye Name: 7-[2-(3,4-difluorophenyl)ethyl]-3-nitro-10H-phenoxazine-1-carboxylic acid CAS Name: 7-[2-(3,4-difluorophenyl)ethyl]-3-nitro-10H-phenoxazine-1-carboxylic acid IUPAC Name: 7-[2-(3,4-difluorophenyl)ethyl]-3-nitro-10H-phenoxazine-1-carboxylic acid Traditional Name: 7-[2-(3,4-difluorophenyl)ethyl]-3-nitro-10H-phenoxazine-1-carboxylic acid Formula: C21H14F2N2O5 MolecularWeight: 412.343066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1CCC3=CC(=C(C=C3)F)F)OC4=C(N2)C(=CC(=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1CCC3=CC(=C(C=C3)F)F)OC4=C(N2)C(=CC(=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H14F2N2O5/c22-15-5-3-11(7-16(15)23)1-2-12-4-6-17-18(8-12)30-19-10-13(25(28)29)9-14(21(26)27)20(19)24-17/h3-10,24H,1-2H2,(H,26,27)