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

Systemtic Name: (E)-4-(8-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(8-ethyl-2-isopropyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-but-2-enoic acid CAS Name: (E)-4-(8-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(8-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobut-2-enoic acid Traditional Name: (E)-4-(8-ethyl-2-isopropyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-keto-but-2-enoic acid Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)N(CC(O2)C(C)C)C(=O)C=CC(=O)O

Isomeric SMILES

CCC1=C2C(=CC=C1)N(CC(O2)C(C)C)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C17H21NO4/c1-4-12-6-5-7-13-17(12)22-14(11(2)3)10-18(13)15(19)8-9-16(20)21/h5-9,11,14H,4,10H2,1-3H3,(H,20,21)/b9-8+