methyl (E)-4-[2-(3-chloranyl-4-oxidanyl-phenyl)ethanoylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: methyl (E)-4-[2-(3-chloranyl-4-oxidanyl-phenyl)ethanoylamino]-4-oxidanylidene-but-2-enoate Openeye Name: methyl (E)-4-[[2-(3-chloro-4-hydroxy-phenyl)acetyl]amino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[2-(3-chloro-4-hydroxyphenyl)-1-oxoethyl]amino]-4-oxo-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[2-(3-chloro-4-hydroxy-phenyl)acetyl]amino]-4-keto-but-2-enoic acid methyl ester Formula: C13H12ClNO5 MolecularWeight: 297.69108

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(=O)NC(=O)CC1=CC(=C(C=C1)O)Cl

Isomeric SMILES

COC(=O)/C=C/C(=O)NC(=O)CC1=CC(=C(C=C1)O)Cl

InChI

InChI=1S/C13H12ClNO5/c1-20-13(19)5-4-11(17)15-12(18)7-8-2-3-10(16)9(14)6-8/h2-6,16H,7H2,1H3,(H,15,17,18)/b5-4+