3-[3-(2-dimethylaminoethyloxy)-4-nitro-phenyl]-6-fluoranyl-7-(methylamino)-2H-1,3-benzoxazin-4-one

Systemtic Name: 3-[3-(2-dimethylaminoethyloxy)-4-nitro-phenyl]-6-fluoranyl-7-(methylamino)-2H-1,3-benzoxazin-4-one Openeye Name: 3-[3-(2-dimethylaminoethyloxy)-4-nitro-phenyl]-6-fluoro-7-(methylamino)-2H-1,3-benzoxazin-4-one CAS Name: 3-[3-(2-dimethylaminoethyloxy)-4-nitrophenyl]-6-fluoro-7-(methylamino)-2H-1,3-benzoxazin-4-one IUPAC Name: 3-[3-(2-dimethylaminoethyloxy)-4-nitrophenyl]-6-fluoro-7-(methylamino)-2H-1,3-benzoxazin-4-one Traditional Name: 3-[3-(2-dimethylaminoethyloxy)-4-nitro-phenyl]-6-fluoro-7-(methylamino)-2H-1,3-benzoxazin-4-one Formula: C19H21FN4O5 MolecularWeight: 404.392243

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C2C(=C1)OCN(C2=O)C3=CC(=C(C=C3)[N+](=O)[O-])OCCN(C)C)F

Isomeric SMILES

CNC1=C(C=C2C(=C1)OCN(C2=O)C3=CC(=C(C=C3)[N+](=O)[O-])OCCN(C)C)F

InChI

InChI=1S/C19H21FN4O5/c1-21-15-10-17-13(9-14(15)20)19(25)23(11-29-17)12-4-5-16(24(26)27)18(8-12)28-7-6-22(2)3/h4-5,8-10,21H,6-7,11H2,1-3H3