methyl 4-[4-[[4-azanyl-3-bromanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]phenoxy]benzoate

Systemtic Name: methyl 4-[4-[[4-azanyl-3-bromanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]phenoxy]benzoate Openeye Name: methyl 4-[4-[(4-amino-3-bromo-9,10-dioxo-1-anthryl)amino]phenoxy]benzoate CAS Name: 4-[4-[(4-amino-3-bromo-9,10-dioxo-1-anthracenyl)amino]phenoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[(4-amino-3-bromo-9,10-dioxoanthracen-1-yl)amino]phenoxy]benzoate Traditional Name: 4-[4-[(4-amino-3-bromo-9,10-diketo-1-anthryl)amino]phenoxy]benzoic acid methyl ester Formula: C28H19BrN2O5 MolecularWeight: 543.36486

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)Br

InChI

InChI=1S/C28H19BrN2O5/c1-35-28(34)15-6-10-17(11-7-15)36-18-12-8-16(9-13-18)31-22-14-21(29)25(30)24-23(22)26(32)19-4-2-3-5-20(19)27(24)33/h2-14,31H,30H2,1H3