4-(3-hydroxyphenyl)-1H-1,5-benzodiazepine-2-carboxylate

Systemtic Name: 4-(3-hydroxyphenyl)-1H-1,5-benzodiazepine-2-carboxylate Openeye Name: 4-(3-hydroxyphenyl)-1H-1,5-benzodiazepine-2-carboxylate CAS Name: 4-(3-hydroxyphenyl)-1H-1,5-benzodiazepine-2-carboxylate IUPAC Name: 4-(3-hydroxyphenyl)-1H-1,5-benzodiazepine-2-carboxylate Traditional Name: 4-(3-hydroxyphenyl)-1H-1,5-benzodiazepine-2-carboxylate Formula: C16H11N2O3- MolecularWeight: 279.27014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=CC(=N2)C3=CC(=CC=C3)O)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=CC(=N2)C3=CC(=CC=C3)O)C(=O)[O-]

InChI

InChI=1S/C16H12N2O3/c19-11-5-3-4-10(8-11)14-9-15(16(20)21)18-13-7-2-1-6-12(13)17-14/h1-9,18-19H,(H,20,21)/p-1