methyl 2-azanyl-3-[4-[(2-chloranyl-5-cyano-phenyl)carbonylamino]phenyl]propanoate

Systemtic Name: methyl 2-azanyl-3-[4-[(2-chloranyl-5-cyano-phenyl)carbonylamino]phenyl]propanoate Openeye Name: methyl 2-amino-3-[4-[(2-chloro-5-cyano-benzoyl)amino]phenyl]propanoate CAS Name: 2-amino-3-[4-[[(2-chloro-5-cyanophenyl)-oxomethyl]amino]phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-amino-3-[4-[(2-chloro-5-cyanobenzoyl)amino]phenyl]propanoate Traditional Name: 2-amino-3-[4-[(2-chloro-5-cyano-benzoyl)amino]phenyl]propionic acid methyl ester Formula: C18H16ClN3O3 MolecularWeight: 357.79094

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)C#N)Cl)N

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)C#N)Cl)N

InChI

InChI=1S/C18H16ClN3O3/c1-25-18(24)16(21)9-11-2-5-13(6-3-11)22-17(23)14-8-12(10-20)4-7-15(14)19/h2-8,16H,9,21H2,1H3,(H,22,23)