2-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]-5-bromanyl-benzoic acid

Systemtic Name: 2-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]-5-bromanyl-benzoic acid Openeye Name: 5-bromo-2-[(9,10-dioxo-1-anthryl)amino]benzoic acid CAS Name: 5-bromo-2-[(9,10-dioxo-1-anthracenyl)amino]benzoic acid IUPAC Name: 5-bromo-2-[(9,10-dioxoanthracen-1-yl)amino]benzoic acid Traditional Name: 5-bromo-2-[(9,10-diketo-1-anthryl)amino]benzoic acid Formula: C21H12BrNO4 MolecularWeight: 422.22828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC4=C(C=C(C=C4)Br)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC4=C(C=C(C=C4)Br)C(=O)O

InChI

InChI=1S/C21H12BrNO4/c22-11-8-9-16(15(10-11)21(26)27)23-17-7-3-6-14-18(17)20(25)13-5-2-1-4-12(13)19(14)24/h1-10,23H,(H,26,27)