2-[1-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-5-pyridin-2-yl-1,3,4-benzotriazepin-3-yl]ethanoic acid

Systemtic Name: 2-[1-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-5-pyridin-2-yl-1,3,4-benzotriazepin-3-yl]ethanoic acid Openeye Name: 2-[1-[2-(o-tolyl)-2-oxo-ethyl]-2-oxo-5-(2-pyridyl)-1,3,4-benzotriazepin-3-yl]acetic acid CAS Name: 2-[1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-(2-pyridinyl)-1,3,4-benzotriazepin-3-yl]acetic acid IUPAC Name: 2-[1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-pyridin-2-yl-1,3,4-benzotriazepin-3-yl]acetic acid Traditional Name: 2-[2-keto-1-[2-keto-2-(o-tolyl)ethyl]-5-(2-pyridyl)-1,3,4-benzotriazepin-3-yl]acetic acid Formula: C24H20N4O4 MolecularWeight: 428.44

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3C(=NN(C2=O)CC(=O)O)C4=CC=CC=N4

Isomeric SMILES

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3C(=NN(C2=O)CC(=O)O)C4=CC=CC=N4

InChI

InChI=1S/C24H20N4O4/c1-16-8-2-3-9-17(16)21(29)14-27-20-12-5-4-10-18(20)23(19-11-6-7-13-25-19)26-28(24(27)32)15-22(30)31/h2-13H,14-15H2,1H3,(H,30,31)