ethyl 2-[3-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]oxyphenoxy]-2-cyano-ethanoate

Systemtic Name: ethyl 2-[3-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]oxyphenoxy]-2-cyano-ethanoate Openeye Name: ethyl 2-[3-[(1-amino-4-hydroxy-9,10-dioxo-2-anthryl)oxy]phenoxy]-2-cyano-acetate CAS Name: 2-[3-[(1-amino-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]phenoxy]-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl 2-[3-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxyphenoxy]-2-cyanoacetate Traditional Name: 2-[3-[(1-amino-4-hydroxy-9,10-diketo-2-anthryl)oxy]phenoxy]-2-cyano-acetic acid ethyl ester Formula: C25H18N2O7 MolecularWeight: 458.41962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)OC1=CC=CC(=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N

Isomeric SMILES

CCOC(=O)C(C#N)OC1=CC=CC(=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N

InChI

InChI=1S/C25H18N2O7/c1-2-32-25(31)19(12-26)34-14-7-5-6-13(10-14)33-18-11-17(28)20-21(22(18)27)24(30)16-9-4-3-8-15(16)23(20)29/h3-11,19,28H,2,27H2,1H3