7-chloranyl-1-methyl-3-oxidanyl-5-phenyl-3H-1,4-benzodiazepin-2-one; dimethylcarbamic acid

Systemtic Name: 7-chloranyl-1-methyl-3-oxidanyl-5-phenyl-3H-1,4-benzodiazepin-2-one; dimethylcarbamic acid Openeye Name: 7-chloro-3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; dimethylcarbamic acid CAS Name: 7-chloro-3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; dimethylcarbamic acid IUPAC Name: 7-chloro-3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; dimethylcarbamic acid Traditional Name: 7-chloro-3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; dimethylcarbamic acid Formula: C19H20ClN3O4 MolecularWeight: 389.8328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3.CN(C)C(=O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3.CN(C)C(=O)O

InChI

InChI=1S/C16H13ClN2O2.C3H7NO2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10;1-4(2)3(5)6/h2-9,15,20H,1H3;1-2H3,(H,5,6)