5-[3-(2-oxidanylidene-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)phenyl]-1,3-oxazole-4-carboxylic acid

Systemtic Name: 5-[3-(2-oxidanylidene-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)phenyl]-1,3-oxazole-4-carboxylic acid Openeye Name: 5-[3-(2-oxo-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)phenyl]oxazole-4-carboxylic acid CAS Name: 5-[3-[2-oxo-8-(1-pyrrolyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]phenyl]-4-oxazolecarboxylic acid IUPAC Name: 5-[3-(2-oxo-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)phenyl]-1,3-oxazole-4-carboxylic acid Traditional Name: 5-[3-(2-keto-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)phenyl]oxazole-4-carboxylic acid Formula: C23H16N4O4 MolecularWeight: 412.39754

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)N3C=CC=C3)NC1=O)C4=CC=CC(=C4)C5=C(N=CO5)C(=O)O

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)N3C=CC=C3)NC1=O)C4=CC=CC(=C4)C5=C(N=CO5)C(=O)O

InChI

InChI=1S/C23H16N4O4/c28-20-12-18(14-4-3-5-15(10-14)22-21(23(29)30)24-13-31-22)25-17-7-6-16(11-19(17)26-20)27-8-1-2-9-27/h1-11,13H,12H2,(H,26,28)(H,29,30)