[2-[[(3-bromophenyl)-cyano-methyl]carbamoyl]cyclohexyl]carbamic acid

Systemtic Name: [2-[[(3-bromophenyl)-cyano-methyl]carbamoyl]cyclohexyl]carbamic acid Openeye Name: [2-[[(3-bromophenyl)-cyano-methyl]carbamoyl]cyclohexyl]carbamic acid CAS Name: [2-[[[(3-bromophenyl)-cyanomethyl]amino]-oxomethyl]cyclohexyl]carbamic acid IUPAC Name: [2-[[(3-bromophenyl)-cyanomethyl]carbamoyl]cyclohexyl]carbamic acid Traditional Name: [2-[[(3-bromophenyl)-cyano-methyl]carbamoyl]cyclohexyl]carbamic acid Formula: C16H18BrN3O3 MolecularWeight: 380.23642

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC(C#N)C2=CC(=CC=C2)Br)NC(=O)O

Isomeric SMILES

C1CCC(C(C1)C(=O)NC(C#N)C2=CC(=CC=C2)Br)NC(=O)O

InChI

InChI=1S/C16H18BrN3O3/c17-11-5-3-4-10(8-11)14(9-18)19-15(21)12-6-1-2-7-13(12)20-16(22)23/h3-5,8,12-14,20H,1-2,6-7H2,(H,19,21)(H,22,23)