[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 5-azanyl-3-methyl-1,2-oxazole-4-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 5-azanyl-3-methyl-1,2-oxazole-4-carboxylate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 5-amino-3-methyl-isoxazole-4-carboxylate CAS Name: 5-amino-3-methyl-4-isoxazolecarboxylic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate Traditional Name: 5-amino-3-methyl-isoxazole-4-carboxylic acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C14H11ClN4O4 MolecularWeight: 334.71454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl)N

Isomeric SMILES

CC1=NOC(=C1C(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl)N

InChI

InChI=1S/C14H11ClN4O4/c1-7-12(13(17)23-19-7)14(21)22-6-11(20)18-9-3-2-8(5-16)10(15)4-9/h2-4H,6,17H2,1H3,(H,18,20)