methyl 3-[[5-(butanoylamino)-2-chloranyl-phenyl]amino]-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-[[5-(butanoylamino)-2-chloranyl-phenyl]amino]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[5-(butanoylamino)-2-chloro-anilino]-3-oxo-propanoate CAS Name: 3-[2-chloro-5-(1-oxobutylamino)anilino]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[5-(butanoylamino)-2-chloroanilino]-3-oxopropanoate Traditional Name: 3-(5-butyramido-2-chloro-anilino)-3-keto-propionic acid methyl ester Formula: C14H17ClN2O4 MolecularWeight: 312.74878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN2O4/c1-3-4-12(18)16-9-5-6-10(15)11(7-9)17-13(19)8-14(20)21-2/h5-7H,3-4,8H2,1-2H3,(H,16,18)(H,17,19)