methyl (2E)-2-[(4-chlorophenyl)methylidene]-3-oxidanylidene-4H-1,4-benzoxazine-6-carboxylate

Systemtic Name: methyl (2E)-2-[(4-chlorophenyl)methylidene]-3-oxidanylidene-4H-1,4-benzoxazine-6-carboxylate Openeye Name: methyl (2E)-2-[(4-chlorophenyl)methylene]-3-oxo-4H-1,4-benzoxazine-6-carboxylate CAS Name: (2E)-2-[(4-chlorophenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxylic acid methyl ester IUPAC Name: methyl (2E)-2-[(4-chlorophenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxylate Traditional Name: (2E)-2-(4-chlorobenzylidene)-3-keto-4H-1,4-benzoxazine-6-carboxylic acid methyl ester Formula: C17H12ClNO4 MolecularWeight: 329.73448

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OC(=CC3=CC=C(C=C3)Cl)C(=O)N2

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)O/C(=C/C3=CC=C(C=C3)Cl)/C(=O)N2

InChI

InChI=1S/C17H12ClNO4/c1-22-17(21)11-4-7-14-13(9-11)19-16(20)15(23-14)8-10-2-5-12(18)6-3-10/h2-9H,1H3,(H,19,20)/b15-8+