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

Systemtic Name: 2-(5-cyclohexyl-2-oxidanylidene-4H-1,3,4-benzotriazepin-3-yl)ethanoic acid Openeye Name: 2-(5-cyclohexyl-2-oxo-4H-1,3,4-benzotriazepin-3-yl)acetic acid CAS Name: 2-(5-cyclohexyl-2-oxo-4H-1,3,4-benzotriazepin-3-yl)acetic acid IUPAC Name: 2-(5-cyclohexyl-2-oxo-4H-1,3,4-benzotriazepin-3-yl)acetic acid Traditional Name: 2-(5-cyclohexyl-2-keto-4H-1,3,4-benzotriazepin-3-yl)acetic acid Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C3C=CC=CC3=NC(=O)N(N2)CC(=O)O

Isomeric SMILES

C1CCC(CC1)C2=C3C=CC=CC3=NC(=O)N(N2)CC(=O)O

InChI

InChI=1S/C16H19N3O3/c20-14(21)10-19-16(22)17-13-9-5-4-8-12(13)15(18-19)11-6-2-1-3-7-11/h4-5,8-9,11,18H,1-3,6-7,10H2,(H,20,21)