dimethyl 2-[(E)-3-(5-azanyl-2-chloranyl-phenyl)prop-2-enyl]propanedioate

Systemtic Name: dimethyl 2-[(E)-3-(5-azanyl-2-chloranyl-phenyl)prop-2-enyl]propanedioate Openeye Name: dimethyl 2-[(E)-3-(5-amino-2-chloro-phenyl)allyl]propanedioate CAS Name: 2-[(E)-3-(5-amino-2-chlorophenyl)prop-2-enyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(E)-3-(5-amino-2-chlorophenyl)prop-2-enyl]propanedioate Traditional Name: 2-[(E)-3-(5-amino-2-chloro-phenyl)allyl]malonic acid dimethyl ester Formula: C14H16ClNO4 MolecularWeight: 297.73414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC=CC1=C(C=CC(=C1)N)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C(C/C=C/C1=C(C=CC(=C1)N)Cl)C(=O)OC

InChI

InChI=1S/C14H16ClNO4/c1-19-13(17)11(14(18)20-2)5-3-4-9-8-10(16)6-7-12(9)15/h3-4,6-8,11H,5,16H2,1-2H3/b4-3+