tert-butyl 2-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-1,4-benzoxazine-4-carboxylate

Systemtic Name: tert-butyl 2-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-1,4-benzoxazine-4-carboxylate Openeye Name: tert-butyl 2-[(E)-3-ethoxy-3-oxo-prop-1-enyl]-1,4-benzoxazine-4-carboxylate CAS Name: 2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-1,4-benzoxazine-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-1,4-benzoxazine-4-carboxylate Traditional Name: 2-[(E)-3-ethoxy-3-keto-prop-1-enyl]-1,4-benzoxazine-4-carboxylic acid tert-butyl ester Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)/C=C/C1=CN(C2=CC=CC=C2O1)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H21NO5/c1-5-22-16(20)11-10-13-12-19(17(21)24-18(2,3)4)14-8-6-7-9-15(14)23-13/h6-12H,5H2,1-4H3/b11-10+