[1-[(5-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: [1-[(5-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: [2-(5-chloro-2-methyl-anilino)-1-methyl-2-oxo-ethyl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzoxazin-4-yl)propanoic acid [1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzoxazin-4-yl)propionic acid [2-(5-chloro-2-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)C(C)OC(=O)CCN2C(=O)COC3=CC=CC=C32

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)C(C)OC(=O)CCN2C(=O)COC3=CC=CC=C32

InChI

InChI=1S/C21H21ClN2O5/c1-13-7-8-15(22)11-16(13)23-21(27)14(2)29-20(26)9-10-24-17-5-3-4-6-18(17)28-12-19(24)25/h3-8,11,14H,9-10,12H2,1-2H3,(H,23,27)