[1-[(3-chloranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1,3-benzoxazole-4-carboxylate

Systemtic Name: [1-[(3-chloranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1,3-benzoxazole-4-carboxylate Openeye Name: [2-(3-chloro-4-methyl-anilino)-1-methyl-2-oxo-ethyl] 1,3-benzoxazole-4-carboxylate CAS Name: 1,3-benzoxazole-4-carboxylic acid [1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl] 1,3-benzoxazole-4-carboxylate Traditional Name: 1,3-benzoxazole-4-carboxylic acid [2-(3-chloro-4-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H15ClN2O4 MolecularWeight: 358.7757

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)C2=C3C(=CC=C2)OC=N3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)C2=C3C(=CC=C2)OC=N3)Cl

InChI

InChI=1S/C18H15ClN2O4/c1-10-6-7-12(8-14(10)19)21-17(22)11(2)25-18(23)13-4-3-5-15-16(13)20-9-24-15/h3-9,11H,1-2H3,(H,21,22)