ethyl 2-[5-[(7-ethoxy-6-fluoranyl-3-methyl-4-oxidanidyl-1-oxidanyl-quinoxalin-4-ium-2-ylidene)amino]benzotriazol-2-yl]ethanoate

Systemtic Name: ethyl 2-[5-[(7-ethoxy-6-fluoranyl-3-methyl-4-oxidanidyl-1-oxidanyl-quinoxalin-4-ium-2-ylidene)amino]benzotriazol-2-yl]ethanoate Openeye Name: ethyl 2-[5-[(7-ethoxy-6-fluoro-1-hydroxy-3-methyl-4-oxido-quinoxalin-4-ium-2-ylidene)amino]benzotriazol-2-yl]acetate CAS Name: 2-[5-[(7-ethoxy-6-fluoro-1-hydroxy-3-methyl-4-oxido-2-quinoxalin-4-iumylidene)amino]-2-benzotriazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-[(7-ethoxy-6-fluoro-1-hydroxy-3-methyl-4-oxidoquinoxalin-4-ium-2-ylidene)amino]benzotriazol-2-yl]acetate Traditional Name: 2-[5-[(7-ethoxy-6-fluoro-1-hydroxy-3-methyl-4-oxido-quinoxalin-4-ium-2-ylidene)amino]benzotriazol-2-yl]acetic acid ethyl ester Formula: C21H21FN6O5 MolecularWeight: 456.427043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)N(C(=NC3=CC4=NN(N=C4C=C3)CC(=O)OCC)C(=[N+]2[O-])C)O)F

Isomeric SMILES

CCOC1=C(C=C2C(=C1)N(C(=NC3=CC4=NN(N=C4C=C3)CC(=O)OCC)C(=[N+]2[O-])C)O)F

InChI

InChI=1S/C21H21FN6O5/c1-4-32-19-10-18-17(9-14(19)22)27(30)12(3)21(28(18)31)23-13-6-7-15-16(8-13)25-26(24-15)11-20(29)33-5-2/h6-10,31H,4-5,11H2,1-3H3