2-fluoranyl-4-[(3-methyl-1-oxidanylidene-4H-benzo[f]quinazolin-9-yl)methylamino]benzoic acid

Systemtic Name: 2-fluoranyl-4-[(3-methyl-1-oxidanylidene-4H-benzo[f]quinazolin-9-yl)methylamino]benzoic acid Openeye Name: 2-fluoro-4-[(3-methyl-1-oxo-4H-benzo[f]quinazolin-9-yl)methylamino]benzoic acid CAS Name: 2-fluoro-4-[(3-methyl-1-oxo-4H-benzo[f]quinazolin-9-yl)methylamino]benzoic acid IUPAC Name: 2-fluoro-4-[(3-methyl-1-oxo-4H-benzo[f]quinazolin-9-yl)methylamino]benzoic acid Traditional Name: 2-fluoro-4-[(1-keto-3-methyl-4H-benzo[f]quinazolin-9-yl)methylamino]benzoic acid Formula: C21H16FN3O3 MolecularWeight: 377.368443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC3=C2C=C(C=C3)CNC4=CC(=C(C=C4)C(=O)O)F

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC3=C2C=C(C=C3)CNC4=CC(=C(C=C4)C(=O)O)F

InChI

InChI=1S/C21H16FN3O3/c1-11-24-18-7-4-13-3-2-12(8-16(13)19(18)20(26)25-11)10-23-14-5-6-15(21(27)28)17(22)9-14/h2-9,23H,10H2,1H3,(H,27,28)(H,24,25,26)