2-(5-oxidanylidene-3,4-dihydro-1,3,4-benzotriazepin-2-yl)benzoic acid

Systemtic Name: 2-(5-oxidanylidene-3,4-dihydro-1,3,4-benzotriazepin-2-yl)benzoic acid Openeye Name: 2-(5-oxo-3,4-dihydro-1,3,4-benzotriazepin-2-yl)benzoic acid CAS Name: 2-(5-oxo-3,4-dihydro-1,3,4-benzotriazepin-2-yl)benzoic acid IUPAC Name: 2-(5-oxo-3,4-dihydro-1,3,4-benzotriazepin-2-yl)benzoic acid Traditional Name: 2-(5-keto-3,4-dihydro-1,3,4-benzotriazepin-2-yl)benzoic acid Formula: C15H11N3O3 MolecularWeight: 281.26614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3C(=O)NN2)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3C(=O)NN2)C(=O)O

InChI

InChI=1S/C15H11N3O3/c19-14-11-7-3-4-8-12(11)16-13(17-18-14)9-5-1-2-6-10(9)15(20)21/h1-8H,(H,16,17)(H,18,19)(H,20,21)