methyl 4-[[5-(butanoylamino)-2-chloranyl-phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[5-(butanoylamino)-2-chloranyl-phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[5-(butanoylamino)-2-chloro-anilino]-4-oxo-butanoate CAS Name: 4-[2-chloro-5-(1-oxobutylamino)anilino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[5-(butanoylamino)-2-chloroanilino]-4-oxobutanoate Traditional Name: 4-(5-butyramido-2-chloro-anilino)-4-keto-butyric acid methyl ester Formula: C15H19ClN2O4 MolecularWeight: 326.77536

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)CCC(=O)OC

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)CCC(=O)OC

InChI

InChI=1S/C15H19ClN2O4/c1-3-4-13(19)17-10-5-6-11(16)12(9-10)18-14(20)7-8-15(21)22-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,19)(H,18,20)