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

Systemtic Name: 3-[[4-azanyl-3-bromanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-5-methyl-benzoic acid Openeye Name: 3-[(4-amino-3-bromo-9,10-dioxo-1-anthryl)amino]-5-methyl-benzoic acid CAS Name: 3-[(4-amino-3-bromo-9,10-dioxo-1-anthracenyl)amino]-5-methylbenzoic acid IUPAC Name: 3-[(4-amino-3-bromo-9,10-dioxoanthracen-1-yl)amino]-5-methylbenzoic acid Traditional Name: 3-[(4-amino-3-bromo-9,10-diketo-1-anthryl)amino]-5-methyl-benzoic acid Formula: C22H15BrN2O4 MolecularWeight: 451.2695

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)O)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)Br

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)O)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)Br

InChI

InChI=1S/C22H15BrN2O4/c1-10-6-11(22(28)29)8-12(7-10)25-16-9-15(23)19(24)18-17(16)20(26)13-4-2-3-5-14(13)21(18)27/h2-9,25H,24H2,1H3,(H,28,29)