(E)-3-[4-(3-azanyl-2-methyl-3-oxidanylidene-propoxy)-3-chloranyl-5-methoxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(3-azanyl-2-methyl-3-oxidanylidene-propoxy)-3-chloranyl-5-methoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(3-amino-2-methyl-3-oxo-propoxy)-3-chloro-5-methoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(3-amino-2-methyl-3-oxopropoxy)-3-chloro-5-methoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(3-amino-2-methyl-3-oxopropoxy)-3-chloro-5-methoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(3-amino-3-keto-2-methyl-propoxy)-3-chloro-5-methoxy-phenyl]acrylic acid Formula: C14H16ClNO5 MolecularWeight: 313.73354

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=C(C=C(C=C1Cl)C=CC(=O)O)OC)C(=O)N

Isomeric SMILES

CC(COC1=C(C=C(C=C1Cl)/C=C/C(=O)O)OC)C(=O)N

InChI

InChI=1S/C14H16ClNO5/c1-8(14(16)19)7-21-13-10(15)5-9(3-4-12(17)18)6-11(13)20-2/h3-6,8H,7H2,1-2H3,(H2,16,19)(H,17,18)/b4-3+