5-[(3-chloranyl-4-methyl-phenyl)amino]pentanoate

Systemtic Name: 5-[(3-chloranyl-4-methyl-phenyl)amino]pentanoate Openeye Name: 5-(3-chloro-4-methyl-anilino)pentanoate CAS Name: 5-(3-chloro-4-methylanilino)pentanoate IUPAC Name: 5-(3-chloro-4-methylanilino)pentanoate Traditional Name: 5-(3-chloro-4-methyl-anilino)valerate Formula: C12H15ClNO2- MolecularWeight: 240.706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCCCCC(=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NCCCCC(=O)[O-])Cl

InChI

InChI=1S/C12H16ClNO2/c1-9-5-6-10(8-11(9)13)14-7-3-2-4-12(15)16/h5-6,8,14H,2-4,7H2,1H3,(H,15,16)/p-1