2-[[4-azanyl-3-bromanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzoic acid

Systemtic Name: 2-[[4-azanyl-3-bromanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzoic acid Openeye Name: 2-[(4-amino-3-bromo-9,10-dioxo-1-anthryl)amino]benzoic acid CAS Name: 2-[(4-amino-3-bromo-9,10-dioxo-1-anthracenyl)amino]benzoic acid IUPAC Name: 2-[(4-amino-3-bromo-9,10-dioxoanthracen-1-yl)amino]benzoic acid Traditional Name: 2-[(4-amino-3-bromo-9,10-diketo-1-anthryl)amino]benzoic acid Formula: C21H13BrN2O4 MolecularWeight: 437.24292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=CC=C4C(=O)O)Br)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=CC=C4C(=O)O)Br)N

InChI

InChI=1S/C21H13BrN2O4/c22-13-9-15(24-14-8-4-3-7-12(14)21(27)28)16-17(18(13)23)20(26)11-6-2-1-5-10(11)19(16)25/h1-9,24H,23H2,(H,27,28)