4-bromanyl-1-[(6-carboxycyclohex-3-en-1-yl)carbonylamino]-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid

Systemtic Name: 4-bromanyl-1-[(6-carboxycyclohex-3-en-1-yl)carbonylamino]-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid Openeye Name: 4-bromo-1-[(6-carboxycyclohex-3-ene-1-carbonyl)amino]-9,10-dioxo-anthracene-2-carboxylic acid CAS Name: 4-bromo-1-[[(6-carboxy-1-cyclohex-3-enyl)-oxomethyl]amino]-9,10-dioxo-2-anthracenecarboxylic acid IUPAC Name: 4-bromo-1-[(6-carboxycyclohex-3-ene-1-carbonyl)amino]-9,10-dioxoanthracene-2-carboxylic acid Traditional Name: 4-bromo-1-[(6-carboxycyclohex-3-ene-1-carbonyl)amino]-9,10-diketo-anthracene-2-carboxylic acid Formula: C23H16BrNO7 MolecularWeight: 498.27964

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=C3C(=C(C=C2C(=O)O)Br)C(=O)C4=CC=CC=C4C3=O)C(=O)O

Isomeric SMILES

C1C=CCC(C1C(=O)NC2=C3C(=C(C=C2C(=O)O)Br)C(=O)C4=CC=CC=C4C3=O)C(=O)O

InChI

InChI=1S/C23H16BrNO7/c24-15-9-14(23(31)32)18(25-21(28)12-7-3-4-8-13(12)22(29)30)17-16(15)19(26)10-5-1-2-6-11(10)20(17)27/h1-6,9,12-13H,7-8H2,(H,25,28)(H,29,30)(H,31,32)