2-(1-carbonochloridoyl-5-cyclohexyl-2-oxidanylidene-1,3,4-benzotriazepin-3-yl)ethanoic acid

Systemtic Name: 2-(1-carbonochloridoyl-5-cyclohexyl-2-oxidanylidene-1,3,4-benzotriazepin-3-yl)ethanoic acid Openeye Name: 2-(1-chlorocarbonyl-5-cyclohexyl-2-oxo-1,3,4-benzotriazepin-3-yl)acetic acid CAS Name: 2-(1-carbonochloridoyl-5-cyclohexyl-2-oxo-1,3,4-benzotriazepin-3-yl)acetic acid IUPAC Name: 2-(1-carbonochloridoyl-5-cyclohexyl-2-oxo-1,3,4-benzotriazepin-3-yl)acetic acid Traditional Name: 2-(1-chlorocarbonyl-5-cyclohexyl-2-keto-1,3,4-benzotriazepin-3-yl)acetic acid Formula: C17H18ClN3O4 MolecularWeight: 363.79552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN(C(=O)N(C3=CC=CC=C32)C(=O)Cl)CC(=O)O

Isomeric SMILES

C1CCC(CC1)C2=NN(C(=O)N(C3=CC=CC=C32)C(=O)Cl)CC(=O)O

InChI

InChI=1S/C17H18ClN3O4/c18-16(24)21-13-9-5-4-8-12(13)15(11-6-2-1-3-7-11)19-20(17(21)25)10-14(22)23/h4-5,8-9,11H,1-3,6-7,10H2,(H,22,23)