(E)-4-(8-bromanyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-(8-bromanyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(8-bromo-2-isopropyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-but-2-enoic acid CAS Name: (E)-4-(8-bromo-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(8-bromo-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobut-2-enoic acid Traditional Name: (E)-4-(8-bromo-2-isopropyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-keto-but-2-enoic acid Formula: C15H16BrNO4 MolecularWeight: 354.19584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CN(C2=C(O1)C(=CC=C2)Br)C(=O)C=CC(=O)O

Isomeric SMILES

CC(C)C1CN(C2=C(O1)C(=CC=C2)Br)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C15H16BrNO4/c1-9(2)12-8-17(13(18)6-7-14(19)20)11-5-3-4-10(16)15(11)21-12/h3-7,9,12H,8H2,1-2H3,(H,19,20)/b7-6+