butanedioic acid; 7-chloranyl-3-oxidanyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

Systemtic Name: butanedioic acid; 7-chloranyl-3-oxidanyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one; succinic acid CAS Name: butanedioic acid; 7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one IUPAC Name: butanedioic acid; 7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one; succinic acid Formula: C19H17ClN2O6 MolecularWeight: 404.80108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O.C(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O.C(CC(=O)O)C(=O)O

InChI

InChI=1S/C15H11ClN2O2.C4H6O4/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12;5-3(6)1-2-4(7)8/h1-8,15,20H,(H,17,19);1-2H2,(H,5,6)(H,7,8)