2-methyl-3-oxidanylidene-6-(phenethylamino)-1,4-diazabicyclo[3.1.1]hept-5-ene-7-carboxylic acid

Systemtic Name: 2-methyl-3-oxidanylidene-6-(phenethylamino)-1,4-diazabicyclo[3.1.1]hept-5-ene-7-carboxylic acid Openeye Name: 2-methyl-3-oxo-6-(phenethylamino)-1,4-diazabicyclo[3.1.1]hept-5-ene-7-carboxylic acid CAS Name: 2-methyl-3-oxo-6-(phenethylamino)-1,4-diazabicyclo[3.1.1]hept-5-ene-7-carboxylic acid IUPAC Name: 2-methyl-3-oxo-6-(phenethylamino)-1,4-diazabicyclo[3.1.1]hept-5-ene-7-carboxylic acid Traditional Name: 3-keto-2-methyl-6-(phenethylamino)-1,4-diazabicyclo[3.1.1]hept-5-ene-7-carboxylic acid Formula: C15H17N3O3 MolecularWeight: 287.31378

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(N1C2C(=O)O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1C(=O)NC2=C(N1C2C(=O)O)NCCC3=CC=CC=C3

InChI

InChI=1S/C15H17N3O3/c1-9-14(19)17-11-12(15(20)21)18(9)13(11)16-8-7-10-5-3-2-4-6-10/h2-6,9,12,16H,7-8H2,1H3,(H,17,19)(H,20,21)