[(2-chloranyl-4-cyano-phenyl)amino] azepane-1-carboxylate

Systemtic Name: [(2-chloranyl-4-cyano-phenyl)amino] azepane-1-carboxylate Openeye Name: (2-chloro-4-cyano-anilino) azepane-1-carboxylate CAS Name: 1-azepanecarboxylic acid (2-chloro-4-cyanoanilino) ester IUPAC Name: (2-chloro-4-cyanoanilino) azepane-1-carboxylate Traditional Name: azepane-1-carboxylic acid (2-chloro-4-cyano-anilino) ester Formula: C14H16ClN3O2 MolecularWeight: 293.74874

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)ONC2=C(C=C(C=C2)C#N)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)ONC2=C(C=C(C=C2)C#N)Cl

InChI

InChI=1S/C14H16ClN3O2/c15-12-9-11(10-16)5-6-13(12)17-20-14(19)18-7-3-1-2-4-8-18/h5-6,9,17H,1-4,7-8H2