4-[[(3R)-7-bromanyl-5-(2-chlorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[(3R)-7-bromanyl-5-(2-chlorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4-oxidanylidene-butanoate Openeye Name: 4-[[(3R)-7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4-oxo-butanoate CAS Name: 4-[[(3R)-7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4-oxobutanoate IUPAC Name: 4-[[(3R)-7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4-oxobutanoate Traditional Name: 4-[[(3R)-7-bromo-5-(2-chlorophenyl)-2-keto-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4-keto-butyrate Formula: C19H13BrClN2O5- MolecularWeight: 464.67392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Br)OC(=O)CCC(=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=N[C@@H](C(=O)NC3=C2C=C(C=C3)Br)OC(=O)CCC(=O)[O-])Cl

InChI

InChI=1S/C19H14BrClN2O5/c20-10-5-6-14-12(9-10)17(11-3-1-2-4-13(11)21)23-19(18(27)22-14)28-16(26)8-7-15(24)25/h1-6,9,19H,7-8H2,(H,22,27)(H,24,25)/p-1/t19-/m1/s1