ethyl 1-[(E)-N-[(4-bromophenyl)amino]-C-ethoxycarbonyl-carbonimidoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(E)-N-[(4-bromophenyl)amino]-C-ethoxycarbonyl-carbonimidoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(E)-N-(4-bromoanilino)-C-ethoxycarbonyl-carbonimidoyl]piperidine-4-carboxylate CAS Name: 1-[(1E)-1-[(4-bromophenyl)hydrazinylidene]-2-ethoxy-2-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-N-(4-bromoanilino)-C-ethoxycarbonylcarbonimidoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-N-(4-bromoanilino)-C-carbethoxy-carbonimidoyl]isonipecotic acid ethyl ester Formula: C18H24BrN3O4 MolecularWeight: 426.30486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=NNC2=CC=C(C=C2)Br)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)/C(=N/NC2=CC=C(C=C2)Br)/C(=O)OCC

InChI

InChI=1S/C18H24BrN3O4/c1-3-25-17(23)13-9-11-22(12-10-13)16(18(24)26-4-2)21-20-15-7-5-14(19)6-8-15/h5-8,13,20H,3-4,9-12H2,1-2H3/b21-16+