(phenylmethyl) 5-chloranyl-6-methanoyl-2,3,4,7-tetrahydroazepine-1-carboxylate

Systemtic Name: (phenylmethyl) 5-chloranyl-6-methanoyl-2,3,4,7-tetrahydroazepine-1-carboxylate Openeye Name: benzyl 5-chloro-6-formyl-2,3,4,7-tetrahydroazepine-1-carboxylate CAS Name: 5-chloro-6-formyl-2,3,4,7-tetrahydroazepine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-chloro-6-formyl-2,3,4,7-tetrahydroazepine-1-carboxylate Traditional Name: 5-chloro-6-formyl-2,3,4,7-tetrahydroazepine-1-carboxylic acid benzyl ester Formula: C15H16ClNO3 MolecularWeight: 293.74544

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(CN(C1)C(=O)OCC2=CC=CC=C2)C=O)Cl

Isomeric SMILES

C1CC(=C(CN(C1)C(=O)OCC2=CC=CC=C2)C=O)Cl

InChI

InChI=1S/C15H16ClNO3/c16-14-7-4-8-17(9-13(14)10-18)15(19)20-11-12-5-2-1-3-6-12/h1-3,5-6,10H,4,7-9,11H2