1-[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylate

Systemtic Name: 1-[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylate Openeye Name: 1-[2-(4-cyanoanilino)-2-oxo-ethyl]cycloheptanecarboxylate CAS Name: 1-[2-(4-cyanoanilino)-2-oxoethyl]-1-cycloheptanecarboxylate IUPAC Name: 1-[2-(4-cyanoanilino)-2-oxoethyl]cycloheptane-1-carboxylate Traditional Name: 1-[2-(4-cyanoanilino)-2-keto-ethyl]cycloheptanecarboxylate Formula: C17H19N2O3- MolecularWeight: 299.34436

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CC(=O)NC2=CC=C(C=C2)C#N)C(=O)[O-]

Isomeric SMILES

C1CCCC(CC1)(CC(=O)NC2=CC=C(C=C2)C#N)C(=O)[O-]

InChI

InChI=1S/C17H20N2O3/c18-12-13-5-7-14(8-6-13)19-15(20)11-17(16(21)22)9-3-1-2-4-10-17/h5-8H,1-4,9-11H2,(H,19,20)(H,21,22)/p-1