(1S,6R)-4-chloranyl-6-[(4-phenyldiazenylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-4-chloranyl-6-[(4-phenyldiazenylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-4-chloro-6-[(4-phenylazophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-4-chloro-6-[oxo-(4-phenyldiazenylanilino)methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-4-chloro-6-[(4-phenyldiazenylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-4-chloro-6-[(4-phenylazophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C20H17ClN3O3- MolecularWeight: 382.82028

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CC(C1C(=O)[O-])C(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3)Cl

Isomeric SMILES

C1C=C(C[C@H]([C@H]1C(=O)[O-])C(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H18ClN3O3/c21-13-6-11-17(20(26)27)18(12-13)19(25)22-14-7-9-16(10-8-14)24-23-15-4-2-1-3-5-15/h1-10,17-18H,11-12H2,(H,22,25)(H,26,27)/p-1/t17-,18+/m0/s1