3-[4-[[4-azanyl-3-bromanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]phenoxy]-5-methyl-benzoic acid

Systemtic Name: 3-[4-[[4-azanyl-3-bromanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]phenoxy]-5-methyl-benzoic acid Openeye Name: 3-[4-[(4-amino-3-bromo-9,10-dioxo-1-anthryl)amino]phenoxy]-5-methyl-benzoic acid CAS Name: 3-[4-[(4-amino-3-bromo-9,10-dioxo-1-anthracenyl)amino]phenoxy]-5-methylbenzoic acid IUPAC Name: 3-[4-[(4-amino-3-bromo-9,10-dioxoanthracen-1-yl)amino]phenoxy]-5-methylbenzoic acid Traditional Name: 3-[4-[(4-amino-3-bromo-9,10-diketo-1-anthryl)amino]phenoxy]-5-methyl-benzoic acid Formula: C28H19BrN2O5 MolecularWeight: 543.36486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)O)OC2=CC=C(C=C2)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)Br

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)O)OC2=CC=C(C=C2)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)Br

InChI

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