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

Systemtic Name: 2-azanyl-4-(3-chloranyl-4-prop-2-enoxy-phenyl)-3-oxidanylidene-butanoic acid Openeye Name: 4-(4-allyloxy-3-chloro-phenyl)-2-amino-3-oxo-butanoic acid CAS Name: 2-amino-4-(3-chloro-4-prop-2-enoxyphenyl)-3-oxobutanoic acid IUPAC Name: 2-amino-4-(3-chloro-4-prop-2-enoxyphenyl)-3-oxobutanoic acid Traditional Name: 4-(4-allyloxy-3-chloro-phenyl)-2-amino-3-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)CC(=O)C(C(=O)O)N)Cl

Isomeric SMILES

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

InChI

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