4-bromanyl-1-(2-methylpropoxycarbonylamino)-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid

Systemtic Name: 4-bromanyl-1-(2-methylpropoxycarbonylamino)-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid Openeye Name: 4-bromo-1-(isobutoxycarbonylamino)-9,10-dioxo-anthracene-2-carboxylic acid CAS Name: 4-bromo-1-[[2-methylpropoxy(oxo)methyl]amino]-9,10-dioxo-2-anthracenecarboxylic acid IUPAC Name: 4-bromo-1-(2-methylpropoxycarbonylamino)-9,10-dioxoanthracene-2-carboxylic acid Traditional Name: 4-bromo-1-(isobutoxycarbonylamino)-9,10-diketo-anthracene-2-carboxylic acid Formula: C20H16BrNO6 MolecularWeight: 446.24814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)NC1=C2C(=C(C=C1C(=O)O)Br)C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)COC(=O)NC1=C2C(=C(C=C1C(=O)O)Br)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H16BrNO6/c1-9(2)8-28-20(27)22-16-12(19(25)26)7-13(21)14-15(16)18(24)11-6-4-3-5-10(11)17(14)23/h3-7,9H,8H2,1-2H3,(H,22,27)(H,25,26)