(E)-4-(7-methyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-(7-methyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl)-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(2-isopropyl-7-methyl-3-oxo-1,4-benzoxazin-4-yl)-4-oxo-but-2-enoic acid CAS Name: (E)-4-(7-methyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(7-methyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-4-oxobut-2-enoic acid Traditional Name: (E)-4-(2-isopropyl-3-keto-7-methyl-1,4-benzoxazin-4-yl)-4-keto-but-2-enoic acid Formula: C16H17NO5 MolecularWeight: 303.30988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(O2)C(C)C)C(=O)C=CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C(O2)C(C)C)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C16H17NO5/c1-9(2)15-16(21)17(13(18)6-7-14(19)20)11-5-4-10(3)8-12(11)22-15/h4-9,15H,1-3H3,(H,19,20)/b7-6+