4-azanyl-3-(3-chloranyl-4-prop-2-enoxy-phenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-3-(3-chloranyl-4-prop-2-enoxy-phenyl)-4-oxidanylidene-butanoic acid Openeye Name: 3-(4-allyloxy-3-chloro-phenyl)-4-amino-4-oxo-butanoic acid CAS Name: 4-amino-3-(3-chloro-4-prop-2-enoxyphenyl)-4-oxobutanoic acid IUPAC Name: 4-amino-3-(3-chloro-4-prop-2-enoxyphenyl)-4-oxobutanoic acid Traditional Name: 3-(4-allyloxy-3-chloro-phenyl)-4-amino-4-keto-butyric acid Formula: C13H14ClNO4 MolecularWeight: 283.70756

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=C(C=C(C=C1)C(CC(=O)O)C(=O)N)Cl

Isomeric SMILES

C=CCOC1=C(C=C(C=C1)C(CC(=O)O)C(=O)N)Cl

InChI

InChI=1S/C13H14ClNO4/c1-2-5-19-11-4-3-8(6-10(11)14)9(13(15)18)7-12(16)17/h2-4,6,9H,1,5,7H2,(H2,15,18)(H,16,17)