(1S,2R)-2-[(4-phenyldiazenylphenyl)carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-[(4-phenyldiazenylphenyl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[(4-phenylazophenyl)carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[oxo-(4-phenyldiazenylanilino)methyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[(4-phenyldiazenylphenyl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[(4-phenylazophenyl)carbamoyl]cyclohexanecarboxylate Formula: C20H20N3O3- MolecularWeight: 350.3911

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C20H21N3O3/c24-19(17-8-4-5-9-18(17)20(25)26)21-14-10-12-16(13-11-14)23-22-15-6-2-1-3-7-15/h1-3,6-7,10-13,17-18H,4-5,8-9H2,(H,21,24)(H,25,26)/p-1/t17-,18+/m1/s1