(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-[2-[(4-fluoranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-[2-[(4-fluoranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-[2-(4-fluoro-2-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-[2-(4-fluoro-2-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-[2-(4-fluoro-2-nitroanilino)-2-oxoethyl]azanium Traditional Name: ethyl-[2-(4-fluoro-2-nitro-anilino)-2-keto-ethyl]-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]ammonium Formula: C21H23FN5O6+ MolecularWeight: 460.435623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC)CC(=O)NC3=C(C=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC)CC(=O)NC3=C(C=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H22FN5O6/c1-4-26(11-20(28)24-14-6-5-12(22)7-16(14)27(30)31)10-19-23-15-9-18(33-3)17(32-2)8-13(15)21(29)25-19/h5-9H,4,10-11H2,1-3H3,(H,24,28)(H,23,25,29)/p+1