4-(7,8-diethyl-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-5-yl)benzoic acid

Systemtic Name: 4-(7,8-diethyl-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-5-yl)benzoic acid Openeye Name: 4-(7,8-diethyl-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)benzoic acid CAS Name: 4-(7,8-diethyl-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)benzoic acid IUPAC Name: 4-(7,8-diethyl-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)benzoic acid Traditional Name: 4-(7,8-diethyl-2-keto-1,3-dihydro-1,4-benzodiazepin-5-yl)benzoic acid Formula: C20H20N2O3 MolecularWeight: 336.3844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=NCC(=O)N2)C3=CC=C(C=C3)C(=O)O)CC

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=NCC(=O)N2)C3=CC=C(C=C3)C(=O)O)CC

InChI

InChI=1S/C20H20N2O3/c1-3-12-9-16-17(10-13(12)4-2)22-18(23)11-21-19(16)14-5-7-15(8-6-14)20(24)25/h5-10H,3-4,11H2,1-2H3,(H,22,23)(H,24,25)