4-[(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]benzoate

Systemtic Name: 4-[(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]benzoate Openeye Name: 4-[(6-chloro-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoate CAS Name: 4-[(6-chloro-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoate IUPAC Name: 4-[(6-chloro-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoate Traditional Name: 4-[(6-chloro-3-keto-1,4-benzoxazin-4-yl)methyl]benzoate Formula: C16H11ClNO4- MolecularWeight: 316.71584

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C16H12ClNO4/c17-12-5-6-14-13(7-12)18(15(19)9-22-14)8-10-1-3-11(4-2-10)16(20)21/h1-7H,8-9H2,(H,20,21)/p-1