tert-butyl 2-methyl-2-[(E)-4-oxidanylidenepent-2-enyl]-3H-1,4-benzoxazine-4-carboxylate

Systemtic Name: tert-butyl 2-methyl-2-[(E)-4-oxidanylidenepent-2-enyl]-3H-1,4-benzoxazine-4-carboxylate Openeye Name: tert-butyl 2-methyl-2-[(E)-4-oxopent-2-enyl]-3H-1,4-benzoxazine-4-carboxylate CAS Name: 2-methyl-2-[(E)-4-oxopent-2-enyl]-3H-1,4-benzoxazine-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-methyl-2-[(E)-4-oxopent-2-enyl]-3H-1,4-benzoxazine-4-carboxylate Traditional Name: 2-[(E)-4-ketopent-2-enyl]-2-methyl-3H-1,4-benzoxazine-4-carboxylic acid tert-butyl ester Formula: C19H25NO4 MolecularWeight: 331.4061

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CCC1(CN(C2=CC=CC=C2O1)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC(=O)/C=C/CC1(CN(C2=CC=CC=C2O1)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C19H25NO4/c1-14(21)9-8-12-19(5)13-20(17(22)24-18(2,3)4)15-10-6-7-11-16(15)23-19/h6-11H,12-13H2,1-5H3/b9-8+