butyl 4-[2-(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(6-chloro-3-keto-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid butyl ester Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)Cl

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN2O5/c1-2-3-10-28-21(27)14-4-7-16(8-5-14)23-19(25)12-24-17-11-15(22)6-9-18(17)29-13-20(24)26/h4-9,11H,2-3,10,12-13H2,1H3,(H,23,25)