3-[6-bromanyl-8-methoxycarbonyloxy-2,4-bis(oxidanylidene)-1,3-benzoxazin-3-yl]benzoic acid

Systemtic Name: 3-[6-bromanyl-8-methoxycarbonyloxy-2,4-bis(oxidanylidene)-1,3-benzoxazin-3-yl]benzoic acid Openeye Name: 3-(6-bromo-8-methoxycarbonyloxy-2,4-dioxo-1,3-benzoxazin-3-yl)benzoic acid CAS Name: 3-(6-bromo-8-methoxycarbonyloxy-2,4-dioxo-1,3-benzoxazin-3-yl)benzoic acid IUPAC Name: 3-(6-bromo-8-methoxycarbonyloxy-2,4-dioxo-1,3-benzoxazin-3-yl)benzoic acid Traditional Name: 3-(6-bromo-8-carbomethoxyoxy-2,4-diketo-1,3-benzoxazin-3-yl)benzoic acid Formula: C17H10BrNO8 MolecularWeight: 436.1672

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)OC1=C2C(=CC(=C1)Br)C(=O)N(C(=O)O2)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

COC(=O)OC1=C2C(=CC(=C1)Br)C(=O)N(C(=O)O2)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C17H10BrNO8/c1-25-17(24)26-12-7-9(18)6-11-13(12)27-16(23)19(14(11)20)10-4-2-3-8(5-10)15(21)22/h2-7H,1H3,(H,21,22)