2,3-bis(oxidanyl)butanedioic acid; 7-chloranyl-N-methyl-4-oxidanyl-5-phenyl-3H-1,4-benzodiazepin-2-imine

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; 7-chloranyl-N-methyl-4-oxidanyl-5-phenyl-3H-1,4-benzodiazepin-2-imine Openeye Name: 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine; 2,3-dihydroxybutanedioic acid CAS Name: 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine; 2,3-dihydroxybutanedioic acid IUPAC Name: 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine; 2,3-dihydroxybutanedioic acid Traditional Name: (7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)-methyl-amine; tartaric acid Formula: C20H20ClN3O7 MolecularWeight: 449.8417

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Descriptors Computed from Structure

Canonical SMILES:

CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C16H14ClN3O.C4H6O6/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15;5-1(3(7)8)2(6)4(9)10/h2-9,21H,10H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)